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added dataset dataset_54
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Yves Moulard, Ludovic Bailly-Chouriberry, Sophie Boyer, Patrice Garcia, Marie-Agnès Popot, Yves Bonnaire authored and Yves Moulard, Ludovic Bailly-Chouriberry, Sophie Boyer, Patrice Garcia, Marie-Agnès Popot, Yves Bonnaire committed Oct 13, 2024
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5 changes: 5 additions & 0 deletions raw_data/draft_01362/draft_01362_gradient.tsv
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t [min] flow rate [ml/min] A [%] B [%]
0 0.3 80 20
5 0.3 80 20
20 0.3 50 50
25 0.3 0 100
2 changes: 2 additions & 0 deletions raw_data/draft_01362/draft_01362_info.tsv
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id url source comment authors name missing information mail
draft_01362 10.1016/j.aca.2011.01.006 Yves Moulard, Ludovic Bailly-Chouriberry, Sophie Boyer, Patrice Garcia, Marie-Agnès Popot, Yves Bonnaire dataset_54 Submitted by Fangyuan Sun.
30 changes: 30 additions & 0 deletions raw_data/draft_01362/draft_01362_metadata.yaml
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column:
name: Waters SunFire C18
id: 2.1
temperature: 35
flowrate: 0.3
usp.code: L1
length: 150
particle.size: '3.5'
eluent:
A:
h2o:
value: 100
unit: '%'
acn:
value: 0
unit: '%'
formic:
value: 0.1
unit: '%'
B:
h2o:
value: 0
unit: '%'
acn:
value: 100
unit: '%'
formic:
value: 0.1
unit: '%'
id: draft_01362
118 changes: 118 additions & 0 deletions raw_data/draft_01362/draft_01362_rtdata.tsv
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rt comment id pubchem.cid pubchem.smiles.isomeric
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