lcms/fbmn/gnps2/nextflow_stdout.log

 N E X T F L O W   ~  version 24.04.4

Launching `/app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf` [stupefied_feynman] DSL2 - revision: 2405673a1f

WARN: java.net.ConnectException: Connection refused
[-        ] filesummary                    -
[-        ] qua…fication_table_reformatted -
[-        ] filter_spectra                 -
[-        ] librarySearchData              -

[-        ] filesummary                    -
[-        ] qua…fication_table_reformatted -
[-        ] filter_spectra                 -
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[-        ] summaryLibrary                 -
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[-        ] createMetadataFile             -
[-        ] calculateGroupings             -
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[-        ] createTallRawData              -

[-        ] filesummary                    | 0 of 1
[-        ] qua…fication_table_reformatted | 0 of 1
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[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[-        ] summaryLibrary                 | 0 of 30
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[-        ] createMetadataFile             | 0 of 1
[-        ] calculateGroupings             -
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[-        ] createTallRawData              -

executor >  slurm (6)
[-        ] filesummary                    | 0 of 1
[0f/8e9f0c] qua…tion_table_reformatted (1) | 0 of 1
[-        ] filter_spectra                 -
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[d2/b0ed21] summaryLibrary (8)             | 0 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[-        ] createMetadataFile             | 0 of 1
[-        ] calculateGroupings             -
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[-        ] createTallRawData              -

executor >  slurm (15)
[8b/c133d5] filesummary (1)                | 0 of 1
[0f/8e9f0c] qua…tion_table_reformatted (1) | 0 of 1
[-        ] filter_spectra                 -
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[c7/a49045] summaryLibrary (9)             | 0 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[-        ] createMetadataFile             | 0 of 1
[-        ] calculateGroupings             -
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[-        ] createTallRawData              -

executor >  slurm (19)
[8b/c133d5] filesummary (1)                | 0 of 1
[0f/8e9f0c] qua…tion_table_reformatted (1) | 0 of 1
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[40/d5d89c] summaryLibrary (13)            | 0 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 0 of 1
[-        ] calculateGroupings             -
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[-        ] createTallRawData              -

executor >  slurm (19)
[8b/c133d5] filesummary (1)                | 0 of 1
[0f/8e9f0c] qua…tion_table_reformatted (1) | 0 of 1
[-        ] filter_spectra                 -
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[40/d5d89c] summaryLibrary (13)            | 0 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 0 of 1
[-        ] calculateGroupings             -
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[-        ] createTallRawData              -

executor >  slurm (22)
[8b/c133d5] filesummary (1)                | 0 of 1
[0f/8e9f0c] qua…tion_table_reformatted (1) | 0 of 1
[-        ] filter_spectra                 -
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[e5/0ae9b5] summaryLibrary (19)            | 3 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 0 of 1
[-        ] calculateGroupings             -
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[-        ] createTallRawData              -

executor >  slurm (25)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 0 of 1
[-        ] filter_spectra                 -
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[73/daab95] summaryLibrary (22)            | 19 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[-        ] calculateGroupings             -
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[-        ] createTallRawData              -

executor >  slurm (28)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[-        ] filter_spectra                 | 0 of 1
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[82/1d4c97] summaryLibrary (25)            | 19 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[-        ] calculateGroupings             | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[-        ] createTallRawData              | 0 of 1

executor >  slurm (33)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[-        ] filter_spectra                 | 0 of 1
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[f1/721d23] summaryLibrary (30)            | 19 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[-        ] calculateGroupings             | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[-        ] createTallRawData              | 0 of 1

executor >  slurm (41)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 0 of 1
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[e8/d5b0f9] summaryLibrary (35)            | 19 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 0 of 1

executor >  slurm (41)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 0 of 1
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[00/9ed817] summaryLibrary (24)            | 23 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 0 of 1

executor >  slurm (46)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 0 of 1
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[3e/675815] summaryLibrary (40)            | 24 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 0 of 1

executor >  slurm (51)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 0 of 1
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[52/a6159f] summaryLibrary (45)            | 38 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 0 of 1

executor >  slurm (58)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 0 of 1
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[88/0037de] summaryLibrary (52)            | 38 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 0 of 1

executor >  slurm (60)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 0 of 1
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[19/ca4e28] summaryLibrary (56)            | 38 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 0 of 1

executor >  slurm (63)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 0 of 1
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[81/e5b84b] summaryLibrary (53)            | 41 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (63)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[-        ] librarySearchData              -
[-        ] librarymergeResults            -
[b9/435258] summaryLibrary (48)            | 49 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       -
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (65)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[-        ] librarySearchData              | 0 of 63
[-        ] librarymergeResults            -
[08/e59f41] summaryLibrary (58)            | 57 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       | 0 of 1
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (71)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[-        ] librarySearchData              | 0 of 69
[-        ] librarymergeResults            -
[cb/103cdc] summaryLibrary (64)            | 57 of 69
[-        ] librarygetGNPSAnnotations      -
[-        ] networkingGNPSPrepParams       | 0 of 1
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (76)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[-        ] librarySearchData              | 0 of 69
[-        ] librarymergeResults            -
[cd/2ee0b2] summaryLibrary (68)            | 57 of 69
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 0 of 1
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (81)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[fd/730bfe] librarySearchData (12)         | 0 of 69
[-        ] librarymergeResults            -
[cd/2ee0b2] summaryLibrary (68)            | 57 of 69
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 0 of 1
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (89)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[6d/11b7bf] librarySearchData (7)          | 0 of 69
[-        ] librarymergeResults            -
[cd/2ee0b2] summaryLibrary (68)            | 57 of 69
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 0 of 1
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (92)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[93/61d12e] librarySearchData (14)         | 0 of 69
[-        ] librarymergeResults            -
[cd/2ee0b2] summaryLibrary (68)            | 57 of 69
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 0 of 1
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (92)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[93/61d12e] librarySearchData (14)         | 0 of 69
[-        ] librarymergeResults            -
[cd/2ee0b2] summaryLibrary (68)            | 57 of 69
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 0 of 1
[-        ] calculatePairs                 -
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (92)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[93/61d12e] librarySearchData (14)         | 0 of 69
[-        ] librarymergeResults            -
[cd/2ee0b2] summaryLibrary (68)            | 57 of 69
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[-        ] calculatePairs                 | 0 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (97)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[93/61d12e] librarySearchData (14)         | 0 of 69
[-        ] librarymergeResults            -
[cd/2ee0b2] summaryLibrary (68)            | 57 of 69
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[98/260736] calculatePairs (5)             | 0 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (102)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[93/61d12e] librarySearchData (14)         | 0 of 69
[-        ] librarymergeResults            -
[cd/2ee0b2] summaryLibrary (68)            | 57 of 69
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[0f/5a9be8] calculatePairs (12)            | 0 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (105)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[93/61d12e] librarySearchData (14)         | 0 of 69
[-        ] librarymergeResults            -
[cd/2ee0b2] summaryLibrary (68)            | 57 of 69
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[6b/18013b] calculatePairs (14)            | 0 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (106)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[93/61d12e] librarySearchData (14)         | 0 of 69
[-        ] librarymergeResults            -
[cd/2ee0b2] summaryLibrary (68)            | 57 of 69
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[c5/6c6618] calculatePairs (11)            | 0 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (106)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[93/61d12e] librarySearchData (14)         | 0 of 69
[-        ] librarymergeResults            -
[cd/2ee0b2] summaryLibrary (68)            | 66 of 69
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[c5/6c6618] calculatePairs (11)            | 0 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (106)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[93/61d12e] librarySearchData (14)         | 0 of 69
[-        ] librarymergeResults            -
[f9/9021c2] summaryLibrary (66)            | 68 of 69
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[f4/8c1575] calculatePairs (6)             | 1 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (107)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[81/f2a62d] librarySearchData (17)         | 1 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[98/260736] calculatePairs (5)             | 2 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (107)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[93/61d12e] librarySearchData (14)         | 2 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[f7/d668e4] calculatePairs (4)             | 3 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (108)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[a4/239f6b] librarySearchData (18)         | 2 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[f7/d668e4] calculatePairs (4)             | 3 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (108)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[a4/239f6b] librarySearchData (18)         | 2 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[21/d23e58] calculatePairs (3)             | 4 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (109)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[6e/25fb2d] librarySearchData (20)         | 3 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[6b/18013b] calculatePairs (14)            | 5 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (109)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[6e/25fb2d] librarySearchData (20)         | 3 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[ba/069144] calculatePairs (13)            | 6 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (110)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[75/302cd5] librarySearchData (19)         | 4 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[0f/5a9be8] calculatePairs (12)            | 7 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (110)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[75/302cd5] librarySearchData (19)         | 4 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[c5/6c6618] calculatePairs (11)            | 8 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (110)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[75/302cd5] librarySearchData (19)         | 4 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[b2/241dcb] calculatePairs (10)            | 9 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (110)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[75/302cd5] librarySearchData (19)         | 4 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[1c/734130] calculatePairs (9)             | 10 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (110)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[75/302cd5] librarySearchData (19)         | 4 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[8d/4ccd84] calculatePairs (8)             | 11 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (111)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[a3/b16604] librarySearchData (23)         | 5 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[7d/0b9019] calculatePairs (7)             | 12 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (112)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[79/39a078] librarySearchData (21)         | 7 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[c8/acfb6f] calculatePairs (2)             | 13 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (113)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[4f/84290c] librarySearchData (22)         | 7 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[c8/acfb6f] calculatePairs (2)             | 13 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (113)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[4f/84290c] librarySearchData (22)         | 7 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[c8/acfb6f] calculatePairs (2)             | 13 of 14
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (113)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[4f/84290c] librarySearchData (22)         | 7 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[-        ] filterNetwork                  -
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (113)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[4f/84290c] librarySearchData (22)         | 7 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[-        ] filterNetwork                  | 0 of 1
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (114)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[4f/84290c] librarySearchData (22)         | 7 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 0 of 1
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (115)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[1a/8a415d] librarySearchData (25)         | 9 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 0 of 1
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (116)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[67/b90f89] librarySearchData (26)         | 9 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 0 of 1
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (116)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[67/b90f89] librarySearchData (26)         | 9 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 0 of 1
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (116)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[67/b90f89] librarySearchData (26)         | 9 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (117)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[1b/15c136] librarySearchData (27)         | 10 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (118)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[d5/c06b2e] librarySearchData (28)         | 11 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (119)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[5a/9beac9] librarySearchData (24)         | 12 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (120)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[36/3a52d2] librarySearchData (29)         | 13 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (120)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[36/3a52d2] librarySearchData (29)         | 13 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (122)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[cf/4a19a0] librarySearchData (34)         | 15 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (123)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[f4/ba11a8] librarySearchData (35)         | 16 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (123)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[f4/ba11a8] librarySearchData (35)         | 16 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (123)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[4f/84290c] librarySearchData (22)         | 18 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (125)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[46/9ccd65] librarySearchData (33)         | 18 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (125)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[46/9ccd65] librarySearchData (33)         | 18 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (126)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[f5/77f1da] librarySearchData (36)         | 19 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (126)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[f5/77f1da] librarySearchData (36)         | 19 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (127)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[d9/9a86e5] librarySearchData (30)         | 20 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (127)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[d9/9a86e5] librarySearchData (30)         | 20 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (128)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[23/a4cd7b] librarySearchData (37)         | 21 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (128)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[23/a4cd7b] librarySearchData (37)         | 21 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (129)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[f3/baf3e3] librarySearchData (50)         | 22 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (129)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[f3/baf3e3] librarySearchData (50)         | 22 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (130)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[6d/c36b63] librarySearchData (40)         | 23 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (131)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[68/ff06ad] librarySearchData (38)         | 24 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (131)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[68/ff06ad] librarySearchData (38)         | 24 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (132)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[5a/4e0629] librarySearchData (44)         | 25 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (132)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[5a/4e0629] librarySearchData (44)         | 25 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (133)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[7d/b7e5c0] librarySearchData (41)         | 26 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (133)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[7d/b7e5c0] librarySearchData (41)         | 26 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (134)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[34/4710b7] librarySearchData (42)         | 27 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (135)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[01/777804] librarySearchData (39)         | 28 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (135)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[01/777804] librarySearchData (39)         | 28 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (136)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[ec/840d1b] librarySearchData (45)         | 29 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (136)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[ec/840d1b] librarySearchData (45)         | 29 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (137)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[de/6c39d7] librarySearchData (46)         | 30 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (137)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[de/6c39d7] librarySearchData (46)         | 30 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (139)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[c6/e20a91] librarySearchData (47)         | 32 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (139)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[c6/e20a91] librarySearchData (47)         | 32 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (140)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[54/820732] librarySearchData (48)         | 33 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (140)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[54/820732] librarySearchData (48)         | 33 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (141)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[89/a927a4] librarySearchData (49)         | 34 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (141)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[89/a927a4] librarySearchData (49)         | 34 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (142)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[96/61174e] librarySearchData (51)         | 35 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (142)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[96/61174e] librarySearchData (51)         | 35 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

executor >  slurm (143)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[54/fc31b5] librarySearchData (53)         | 36 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (143)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[54/fc31b5] librarySearchData (53)         | 36 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (143)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[54/820732] librarySearchData (48)         | 37 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (144)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[ab/932d7f] librarySearchData (52)         | 37 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (144)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[ab/932d7f] librarySearchData (52)         | 37 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (145)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[02/be9e8f] librarySearchData (55)         | 38 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (145)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[02/be9e8f] librarySearchData (55)         | 38 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (146)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[d7/b89bc3] librarySearchData (56)         | 39 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (146)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[d7/b89bc3] librarySearchData (56)         | 39 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (147)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[70/68364f] librarySearchData (54)         | 40 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (147)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[70/68364f] librarySearchData (54)         | 40 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (148)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[e3/b3822a] librarySearchData (58)         | 41 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (148)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[e3/b3822a] librarySearchData (58)         | 41 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (149)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[27/a5d1be] librarySearchData (57)         | 42 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (149)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[27/a5d1be] librarySearchData (57)         | 42 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (150)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[76/533cee] librarySearchData (59)         | 43 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (150)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[76/533cee] librarySearchData (59)         | 43 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (151)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[bf/b9887e] librarySearchData (60)         | 44 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (151)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[bf/b9887e] librarySearchData (60)         | 44 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (152)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[db/a9f521] librarySearchData (68)         | 45 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (153)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[51/e39070] librarySearchData (65)         | 46 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (153)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[51/e39070] librarySearchData (65)         | 46 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (154)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[87/93d577] librarySearchData (67)         | 47 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (154)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[87/93d577] librarySearchData (67)         | 47 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (155)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[9d/c7cc23] librarySearchData (66)         | 48 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (155)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[9d/c7cc23] librarySearchData (66)         | 48 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (156)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[14/08b219] librarySearchData (64)         | 49 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (156)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[14/08b219] librarySearchData (64)         | 49 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (157)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[4c/191f34] librarySearchData (61)         | 50 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (157)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[4c/191f34] librarySearchData (61)         | 50 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (158)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[ee/5b32a5] librarySearchData (63)         | 51 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (158)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[ee/5b32a5] librarySearchData (63)         | 51 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (159)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[d4/576c15] librarySearchData (69)         | 52 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (159)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[d4/576c15] librarySearchData (69)         | 52 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[d6/92d31e] librarySearchData (62)         | 53 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[d6/92d31e] librarySearchData (62)         | 53 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[d6/92d31e] librarySearchData (62)         | 54 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[bf/b9887e] librarySearchData (60)         | 55 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 0 of 1
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[bf/b9887e] librarySearchData (60)         | 55 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[a3/b16604] librarySearchData (23)         | 56 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[14/08b219] librarySearchData (64)         | 57 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[d4/576c15] librarySearchData (69)         | 58 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[87/93d577] librarySearchData (67)         | 59 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[f1/0e8768] librarySearchData (5)          | 60 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[75/302cd5] librarySearchData (19)         | 61 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔



executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[f5/77f1da] librarySearchData (36)         | 62 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[36/3a52d2] librarySearchData (29)         | 63 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[64/2c6c62] librarySearchData (8)          | 64 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[ec/840d1b] librarySearchData (45)         | 65 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[76/533cee] librarySearchData (59)         | 66 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[f4/ba11a8] librarySearchData (35)         | 67 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (160)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[4c/191f34] librarySearchData (61)         | 68 of 69
[-        ] librarymergeResults            -
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (161)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[9d/c7cc23] librarySearchData (66)         | 69 of 69 ✔
[e7/e23479] librarymergeResults            | 0 of 1
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[-        ] librarygetGNPSAnnotations      -
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (162)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[9d/c7cc23] librarySearchData (66)         | 69 of 69 ✔
[e7/e23479] librarymergeResults            | 1 of 1 ✔
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[3f/892bee] librarygetGNPSAnnotations (1)  | 0 of 1
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (162)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[9d/c7cc23] librarySearchData (66)         | 69 of 69 ✔
[e7/e23479] librarymergeResults            | 1 of 1 ✔
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[3f/892bee] librarygetGNPSAnnotations (1)  | 0 of 1
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[-        ] enrichClusterSummary           -
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (163)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[9d/c7cc23] librarySearchData (66)         | 69 of 69 ✔
[e7/e23479] librarymergeResults            | 1 of 1 ✔
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[3f/892bee] librarygetGNPSAnnotations (1)  | 1 of 1 ✔
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[11/60c682] enrichClusterSummary (1)       | 0 of 1
[-        ] createNetworkGraphML           -
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (164)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[9d/c7cc23] librarySearchData (66)         | 69 of 69 ✔
[e7/e23479] librarymergeResults            | 1 of 1 ✔
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[3f/892bee] librarygetGNPSAnnotations (1)  | 1 of 1 ✔
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[11/60c682] enrichClusterSummary (1)       | 1 of 1 ✔
[77/b5aa5e] createNetworkGraphML (1)       | 0 of 1
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused


executor >  slurm (164)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[9d/c7cc23] librarySearchData (66)         | 69 of 69 ✔
[e7/e23479] librarymergeResults            | 1 of 1 ✔
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[3f/892bee] librarygetGNPSAnnotations (1)  | 1 of 1 ✔
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[11/60c682] enrichClusterSummary (1)       | 1 of 1 ✔
[77/b5aa5e] createNetworkGraphML (1)       | 0 of 1
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔
WARN: java.net.ConnectException: Connection refused

executor >  slurm (164)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[9d/c7cc23] librarySearchData (66)         | 69 of 69 ✔
[e7/e23479] librarymergeResults            | 1 of 1 ✔
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[3f/892bee] librarygetGNPSAnnotations (1)  | 1 of 1 ✔
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[11/60c682] enrichClusterSummary (1)       | 1 of 1 ✔
[77/b5aa5e] createNetworkGraphML (1)       | 1 of 1 ✔
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔


executor >  slurm (164)
[8b/c133d5] filesummary (1)                | 1 of 1 ✔
[0f/8e9f0c] qua…tion_table_reformatted (1) | 1 of 1 ✔
[90/77249e] filter_spectra (1)             | 1 of 1 ✔
[9d/c7cc23] librarySearchData (66)         | 69 of 69 ✔
[e7/e23479] librarymergeResults            | 1 of 1 ✔
[38/affabc] summaryLibrary (59)            | 69 of 69 ✔
[3f/892bee] librarygetGNPSAnnotations (1)  | 1 of 1 ✔
[67/9e534b] networkingGNPSPrepParams (1)   | 1 of 1 ✔
[3a/225dd4] calculatePairs (1)             | 14 of 14 ✔
[72/9f58e1] filterNetwork (1)              | 1 of 1 ✔
[53/a266fe] createMetadataFile             | 1 of 1 ✔
[28/3f1b6b] calculateGroupings (1)         | 1 of 1 ✔
[11/60c682] enrichClusterSummary (1)       | 1 of 1 ✔
[77/b5aa5e] createNetworkGraphML (1)       | 1 of 1 ✔
[ff/c89b44] createTallRawData (1)          | 1 of 1 ✔

Completed at: 14-Jul-2025 12:40:34
Duration    : 6h 21m 39s
CPU hours   : 27.6
Succeeded   : 164