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added dataset dataset_55
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Fangyuan Sun authored and Fangyuan Sun committed Oct 10, 2024
1 parent f15ff4c commit 674316b
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6 changes: 6 additions & 0 deletions raw_data/draft_25135/draft_25135_gradient.tsv
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t [min] flow rate [ml/min] A [%] B [%]
0.5 0.3 95 5
3.5 0.3 80 20
5.5 0.3 75 25
7 0.3 43 57
8 0.3 10 90
2 changes: 2 additions & 0 deletions raw_data/draft_25135/draft_25135_info.tsv
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id url source comment authors name missing information mail
draft_25135 10.1016/j.chroma.2013.03.006 Fangyuan Sun dataset_55
30 changes: 30 additions & 0 deletions raw_data/draft_25135/draft_25135_metadata.yaml
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column:
name: Waters ACQUITY UPLC BEH C18
id: 2.1
temperature: 30
flowrate: 0.3
usp.code: L1
length: 50
particle.size: '1.7'
eluent:
A:
h2o:
value: 100
unit: '%'
formic:
value: 0.3
unit: '%'
acn:
value: 0
unit: '%'
B:
h2o:
value: 0
unit: '%'
formic:
value: 0
unit: '%'
acn:
value: 100
unit: '%'
id: draft_25135
125 changes: 125 additions & 0 deletions raw_data/draft_25135/draft_25135_rtdata.tsv
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rt comment id pubchem.cid pubchem.smiles.isomeric
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