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README.md
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The ReTiNA-1 dataset contains:
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- 4,359,188 molecule–environment combinations, the largest singular LC-MS retention time dataset of its kind to date
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- Experimentally measured retention times, in seconds, curated from public datasets, benchmark papers, and literature
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91 distinct LC-MS setup environments are used in ReTiNA-1. Each environment consists of:
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The ReTiNA-1 dataset contains:
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- 4,359,188 unique molecule–environment combinations, the largest singular LC-MS retention time dataset of its kind to date
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| 22 |
- Experimentally measured retention times, in seconds, curated from public datasets, benchmark papers, and literature
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| 23 |
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| 24 |
91 distinct LC-MS setup environments are used in ReTiNA-1. Each environment consists of:
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