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604.3446
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913.2418
549.7945
482.7654
339.5944
203.6725
222.8337
202.6394
271.6792
175.5975
126.4676
126.6919
106.1782
162.6205
30.34812
45.60628
196.6684
35.65693
244.9079
206.6932
349.2673
303.8641
500.9716
730.8368
615.6836
668.7055
670.0054
696.1582
959.2649
1,261.933
1,040.621
1,351.888
1,378.999
1,602.965
1,550.755
1,654.671
1,561.59
1,533.639
1,519.773
1,549.94
1,517.758
1,355.316
1,257.185
1,176.995
960.9504
1,101.75
874.7007
748.1073
382.1627
394.8951
418.3335
384.4617
254.1317
258.0058
253.7218
170.3606
131.9605
79.91535
101.3404
58.59506
106.2897
12.71455
98.39143
254.4968
170.3643
172.4483
66.94839
18
28.8
0.503
0.105
249.4068
291.4877
168.8364
238.6276
374.8149
246.8749
181.9983
238.2882
144.5013
108.3797
97.22798
85.43774
113.2695
83.42096
110.1495
262.7955
315.8397
174.6011
262.1093
224.3071
164.8925
176.2261
364.9469
458.3616
541.7191
674.0404
562.1097
535.2022
580.3673
810.6024
668.9746
577.9604
788.3953
803.6195
558.0007
612.0401
580.9446
542.5828
462.4739
457.9027
650.8284
555.2357
383.2604
503.8952
523.9273
476.3085
477.4402
675.6659
543.7249
186.9267
257.6781
316.0167
247.0965
245.6391
125.6569
200.8071
188.5847
201.7745
145.4368
153.2018
137.0186
121.1566
67.79188
151.4967
163.5944
211.2449
124.3383
358.0086
472.9859
558.4037
493.1701
687.5946
560.0242
761.8702
698.0467
983.0209
938.2812
1,087.014
1,079.568
1,208.084
1,009.055
1,323.484
1,268.456
1,494.226
1,302.597
1,230.148
1,111.418
1,170.402
1,042.435
1,061.831
731.9344
816.9492
868.3605
687.951
630.3439
514.9271
354.4896
249.8776
346.3516
230.1368
246.5056
202.4352
93.28628
205.5393
66.37855
60.55919
196.4965
131.3888
147.8592
188.0287
147.103
134.3475
58.19201
133.2563
20
43.3
0.476
null
521.3466
190.7598
283.3275
337.4986
332.5581
258.1107
239.6399
199.5213
252.8816
73.56477
98.27535
178.0548
215.0983
128.0489
217.1305
177.5937
309.9451
184.4879
253.7866
239.4549
249.6916
349.6991
578.4285
590.8765
655.5467
747.3441
1,004.929
869.9623
980.7464
931.0886
1,260.759
948.5296
1,034.103
1,234.24
1,235.914
935.7289
890.7562
758.7098
778.915
831.8134
820.9931
788.9306
610.6742
537.3743
681.7661
629.7248
701.9829
819.3304
689.0036
549.2148
680.1468
1,073.565
661.0236
338.9769
264.0247
302.5675
401.097
205.3808
89.87994
214.9531
184.8043
92.01994
95.29894
178.329
160.8585
305.308
338.3641
277.4027
572.9052
626.738
1,028.599
842.3838
1,045.327
1,132.642
1,107.861
1,140.23
1,277.597
1,562.767
1,752.766
1,582.113
1,719.28
1,887.626
2,140.163
2,032.21
1,962.552
2,301.736
1,795.873
1,728.601
1,972.648
1,557.778
1,603.959
1,304.93
1,170.464
1,051.895
913.2343
723.6987
506.3324
390.5811
415.2149
355.4515
374.9633
296.0429
147.2795
152.9959
142.6096
136.7221
175.3715
321.1242
79.17401
332.4918
375.6482
114.6458
400.4645
47.31009
21
50
null
null
253.3031
139.4328
170.0115
192.4784
181.5204
231.3376
160.7268
213.3038
195.1719
65.79843
80.62601
34.67687
109.0546
92.72651
154.3832
134.172
126.5179
130.9255
131.735
154.3204
191.8497
392.7717
361.9895
346.9421
429.7494
552.8265
583.8842
560.4756
591.2403
684.5495
752.1839
654.7745
721.7876
730.6878
659.4083
700.9403
573.6858
512.5746
650.8674
605.7202
545.4882
513.2965
505.7724
581.8924
505.8416
491.1454
357.627
600.9742
361.3577
349.4258
309.4396
305.4933
233.9736
269.9759
112.4122
213.4289
178.8492
192.6593
184.7545
184.4668
120.9747
174.2999
226.8204
35.00645
114.5253
86.41006
399.922
261.9907
402.2121
453.737
508.3717
521.6943
653.992
748.9845
691.7628
822.3353
788.8442
1,074.607
1,052.032
969.7571
1,217.178
1,158.551
1,144.872
1,189.908
1,340.275
1,229.812
1,157.606
997.3353
1,068.206
876.5308
859.0933
844.6432
734.9532
688.5412
646.9061
380.6993
295.6592
373.8645
297.8287
247.0364
188.8772
168.778
140.2727
130.43
59.3823
213.7535
145.6063
125.7973
92.13993
93.98607
86.85268
239.0528
100.3145
122.8037
22
56.1
null
null

Dataset Card for TG-Raman Spectra from E. coli Cultivation

Dataset Summary

This dataset contains offline Raman spectra collected from the cell containing samples during the cultivation of Escherichia coli W3110. Measurements were performed using Time-Gated Raman Spectroscopy (TG-Raman) to suppress background fluorescence from the complex cultivation media via temporal separation.

The dataset corresponds to a bioreactor cultivation involving a 10-hour batch phase followed by a pulse-based fed-batch phase to induce metabolic transients.

Dataset Structure

Data Points

Each entry consists of a Raman spectrum (intensity vs. Raman shift) paired with the following quantitative annotations:

  • Glucose [g/L]: Primary carbon source.
  • Acetate [g/L]: Primary metabolic byproduct.
  • OD600: Reference optical density of the culture at the time of sampling.

Technical Specifications

Cultivation Parameters

  • Organism: Escherichia coli W3110.
  • Cultivation Mode: Batch and Fed-batch (pulse-feeding).
  • Vessel: 3.7 L stirred-tank bioreactor.
  • Duration: ~22 hours.

Measurement Setup

  • Spectrometer: TimeGate Instruments TGMI.
  • Technology: Time-Gated Raman Spectroscopy (532 nm pulsed laser, 100 ps pulse width).
  • Reference Analytics:
    • Glucose: Enzymatic hexokinase kit.
    • Acetate: HPLC with Refractive Index and Fluorescence detection
    • OD600: UV-Vis

Citation

If you use this dataset in your research, please cite the following paper:

BibTeX:

@article{kogler2018comparison,
  title={Comparison of time-gated surface-enhanced raman spectroscopy (TG-SERS) and classical SERS based monitoring of Escherichia coli cultivation samples},
  author={K{\"o}gler, Martin and Paul, Andrea and Anane, Emmanuel and Birkholz, Mario and Bunker, Alex and Viitala, Tapani and Maiwald, Michael and Junne, Stefan and Neubauer, Peter},
  journal={Biotechnology progress},
  volume={34},
  number={6},
  pages={1533--1542},
  year={2018},
  publisher={Wiley Online Library}
}
```    	
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