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70 Open 213 Closed
70 Open 213 Closed
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Issues list

Make compound list workspace-local
#357 opened May 4, 2024 by meowcat
Implement eicWorkflow
#356 opened May 1, 2024 by meowcat
Resolve bpstopOnError issue in RMassBankXCMS.Rmd
#355 opened Mar 22, 2024 by meowcat
4
Write a JCAMP importer function
#352 opened Aug 18, 2023 by tsufz
4 tasks
Implement processing of JCAMP files
@tsufz
Review JCAMP functions implemented enhancement high priority
#351 opened Aug 18, 2023 by tsufz Implement processing of JCAMP files
@tsufz
1
Formula is incorrect for charged compounds bug
#349 opened Aug 14, 2023 by tsufz Adduct and formula annotation
3
Avoid empty comment lines bug
#348 opened Aug 13, 2023 by tsufz Bugs and warnings
@tsufz
Add COPYRIGHT as potential infolist.csv column
#343 opened Jul 27, 2023 by meowcat
1
Reformat progress bars enhancement
#341 opened Jul 26, 2023 by tsufz Cosmetics and other small things to be done in between
1
Catch possible delimiter problems in all csv import entries
#340 opened Jul 26, 2023 by tsufz Cosmetics and other small things to be done in between
SMILES / InChI(Key)+identifier inconsistencies in RMassBank-generated records bug
#331 opened May 17, 2023 by schymane Bugs and warnings
3
Remove alternateAnalyze.R functions? deprecation
#325 opened Apr 26, 2023 by meowcat Feature deprecation
1
Implement a version control of the settings file enhancement
#321 opened Feb 8, 2023 by tsufz Improve configuration options
2
Allow the Collision Energy from spectral Data to override CE from the INI file. enhancement
#316 opened Aug 11, 2022 by sneumann Improve configuration options
2
param mode options for adducts like [M+HCOOH-H]-,[2M+H]+,[M+2H+Na]3+,[M+2ACN+2H]2+,[M+IsoProp+Na+H]+,etc
#314 opened May 12, 2022 by achimmiri Adduct and formula annotation
1
Fragment formula annotation is incorrect for multiply-charged ions
#307 opened Mar 17, 2022 by meowcat Adduct and formula annotation
1
MSP-workflow: outdate RMB_options.ini in example
#305 opened Mar 16, 2022 by tsufz Bugs and warnings
@tsufz
Replace OpenBabel dependencies with ChemmineR
#301 opened Dec 22, 2021 by pstahlhofen Minimize external dependencies
@tsufz
Modularization of annotation tags
#299 opened Nov 23, 2021 by meowcat Improve configuration options
Import of JCAMP files enhancement
#298 opened Nov 4, 2021 by tsufz Improve configuration options
@tsufz
Upgrade ini to parse GC-MS based information compliance with record format enhancement
#297 opened Nov 4, 2021 by tsufz Improve configuration options
@tsufz
1
[M-2H]2- Adduct bug
#284 opened Mar 16, 2021 by lauperbe Adduct and formula annotation
4
selectPeaks: operations are possible only for numeric, logical or complex types
#278 opened Dec 6, 2020 by Don86 Bugs and warnings
3
Duplicated PK$PEAKS in output record in case of ambiguous PK$ANNOTATION bug
#273 opened Nov 22, 2020 by sneumann Bugs and warnings
2
Raw file processing of Thermo data enhancement on hold
#270 opened Nov 12, 2020 by tsufz Improve configuration options
@tsufz
ProTip! Exclude everything labeled bug with -label:bug.