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Hi,
We have generated a dataset with only MS1, when I try to perform the database searching without MS2, all the probabilistic scores become 0. How can we deal with this issue?
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Hi all,
We now have many records from many contributors that are the same substance, but with different CH$NAME entries (and different combinations of CH$NAME entries). Since RMassBank starts from …
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Since tcplLoadData has changed so that tcplLite is no longer supported, this vignette fails to build. It should probably be removed.
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Creating a catch all ticket for vignette updates needed based on tech reviewer comments:
- Remove api key and server parameters from bioactivity requests https://cran.r-project.org/web/packages/ccdR/…
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@nunogit will look at how to provide guidelines wrt ID providers and SOPs for next datasets and which form that should be in: part of the CMMI, included in cookbook...?
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Creating a catch all ticket to reflect tcpl v3.2 vignette updates needed. May add more.
Update CRAN vignette entries so order displays as follows
1. Introduction to tcpl and invitrodb
2. Assay …
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User reported that SM858902 and SM858951 contain spectral data from acetylsulfamethoxazole but are labeled diphenhydramine (thank you!). Upon closer inspection we seem to have had an ID/Precursor&peak…
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Cytotox table should populate for every chemical that has data in invitrodb even if there are no datapoints in burst assays (should default to a value). Need to investigate why galaxolide was not popu…
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There is a need to update the vignettes for the ToxCast pipeline as outlined in: https://github.com/USEPA/CompTox-ToxCast-tcpl/issues/210.
Here are the broad components for Data processing that may…
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Based on analysis here: https://github.com/USEPA/CompTox-ToxCast-tcpl/pull/209
https://github.com/USEPA/CompTox-ToxCast-tcplFit2/blob/0b849cf6b7a2425b13c38cc20791d5a6f8d5cebc/R/tcplhit2_core.R#L81
…