- 26 Oct, 2021 2 commits
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Todor Kondic authored
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Todor Kondic authored
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- 11 Oct, 2020 2 commits
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Todor Kondic authored
* pubchemlite/R/add_ccs2csv.R (FN_CONFIG): If there are no three arguments detected, the script assumes they are given in the FN_CONFIG file (called by default add_ccs2csv.yaml, residing in directory where R was started.
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Todor Kondic authored
* pubchemlite/R/add_ccs2csv.R <where join happens>: Replaced nomatch=NULL with nomatch=NA. Later, when we write this out, NAs are treated as "".
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- 09 Oct, 2020 3 commits
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Todor Kondic authored
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Emma Schymanski authored
adjusted grep pattern to retain [M-H]-
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Todor Kondic authored
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- 08 Oct, 2020 1 commit
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Todor Kondic authored
* R/add_ccs2csv.R: New script.
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