Problem in InChiKey to sample assignment - Githubissues

darkreactions / ESCALATE_report

Transform experimental data into ML ready datasets!

http://escalation.sd2e.org/

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Problem in InChiKey to sample assignment #19

Closed cinaljess closed 5 years ago

cinaljess commented 5 years ago

File: 2019-01-16_TrainingData.csv

After subsetting the dataframe on ethyl amine InChiKey the following number of samples are grouped according to date of experiment. In the table it appears that there is an off-by-one problem after 2018-12-03.

RunID_vial	Samples
2017-10-19	192
2018-06-05	32
2018-06-19	24
2018-06-26	96
2018-07-06	96
2018-08-21	96
2018-08-28	96
2018-09-13	96
2018-09-24	96
2018-09-25	192
2018-10-16	48
2018-10-31	48
2018-11-09	108
2018-12-03	1
2018-12-06	71
2018-12-11	3
2019-01-09	69