Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / computational-metabolomics/msPurity issues and pull requests

#106 - [frag4feature] XCMS features/MS2 events linkage

Issue - State: closed - Opened by Hrodwin 3 months ago - 6 comments

#99 - Error about creating a spectral-database

Issue - State: closed - Opened by g0079 about 2 years ago - 1 comment

#98 - Update createMSP to use median mz and RT values

Pull Request - State: closed - Opened by Tomnl over 2 years ago

#96 - unused argument (xcmsObj = xcmsObj)

Issue - State: closed - Opened by cyan20200410 over 2 years ago - 2 comments

#95 - Installing the msPurity package in R studio

Issue - State: closed - Opened by Haassress over 2 years ago - 8 comments

#94 - 1.12.2 - small updates due to changes in versions of mzR, XCMS and R v4.2

Pull Request - State: closed - Opened by Tomnl over 2 years ago

#93 - v1.21.1 - bugfix for frag4feature using unconverted xcms v3 object

Pull Request - State: closed - Opened by M-R-JONES over 2 years ago

#92 - Remove f_nms variable which is undefined

Pull Request - State: closed - Opened by Tomnl over 2 years ago

#91 - 1.19.2 - xcms3 updates

Pull Request - State: closed - Opened by M-R-JONES about 3 years ago
Labels: enhancement

#90 - bug fix for calculated full width for flag remove function

Pull Request - State: closed - Opened by Tomnl over 3 years ago

#89 - frag4feature updates for xcms3

Pull Request - State: closed - Opened by M-R-JONES over 3 years ago - 1 comment

#88 - Processing Agilent QToF files

Issue - State: closed - Opened by yguitton over 3 years ago - 3 comments

#87 - Update bio.tools entry

Issue - State: open - Opened by hechth over 3 years ago

#85 - Auth fix 1.16.2 1.17.2

Pull Request - State: closed - Opened by Tomnl almost 4 years ago

#84 - intra db fix, licenses, github workflows (v1.16.1 & v1.17.1)

Pull Request - State: closed - Opened by Tomnl almost 4 years ago

#83 - intra db fix, licences, github workflows

Pull Request - State: closed - Opened by Tomnl almost 4 years ago

#82 - v1.14.1 bug fixes

Pull Request - State: closed - Opened by Tomnl about 4 years ago

#81 - Spectral matching RA check fix

Pull Request - State: closed - Opened by Tomnl about 4 years ago - 1 comment

#80 - Reverse dot product cosine (rdpc) fix

Pull Request - State: closed - Opened by Tomnl about 4 years ago - 1 comment

#79 - Correction for the align function in the spectralMatching.R

Issue - State: closed - Opened by xiaodfeng about 4 years ago - 2 comments

#77 - Convert compound name to database ID

Issue - State: closed - Opened by hh1985 over 4 years ago - 4 comments

#76 - msPurity spectralMatching empty for negative mode

Issue - State: closed - Opened by yguitton over 4 years ago - 3 comments

#75 - createDatabase function

Issue - State: closed - Opened by jsaintvanne over 4 years ago - 13 comments

#74 - Any suggestion to summarize xcmsMatchedResults?

Issue - State: closed - Opened by hh1985 over 4 years ago - 6 comments

#73 - 1.14.1 - spectralMatching using 'scan' spectra type bug fix & documentation update

Pull Request - State: closed - Opened by Tomnl over 4 years ago - 1 comment

#72 - v1.12.2 bug fix

Pull Request - State: closed - Opened by Tomnl over 4 years ago - 1 comment

#71 - Bug fix 1.12.1

Pull Request - State: closed - Opened by Tomnl almost 5 years ago - 1 comment

#70 - Update typo in docs

Pull Request - State: closed - Opened by Tomnl almost 5 years ago

#69 - [WIP] New function

Pull Request - State: closed - Opened by jsaintvanne almost 5 years ago - 3 comments

#68 - update for fillpeaks bug

Pull Request - State: closed - Opened by jsaintvanne about 5 years ago - 9 comments

#67 - fillChromPeaks and NA values

Issue - State: closed - Opened by jsaintvanne about 5 years ago - 7 comments

#66 - Correct ddply

Pull Request - State: closed - Opened by jsaintvanne about 5 years ago - 8 comments

#65 - v1.11.5-dev

Pull Request - State: closed - Opened by Tomnl about 5 years ago - 1 comment

#64 - Bug fix for fileid tracking

Pull Request - State: closed - Opened by Tomnl about 5 years ago - 1 comment

#63 - createDatabase low memory version

Issue - State: open - Opened by Tomnl about 5 years ago
Labels: enhancement

#62 - v1.11.4

Pull Request - State: closed - Opened by Tomnl about 5 years ago - 1 comment

#61 - Combine ann fix

Pull Request - State: closed - Opened by Tomnl about 5 years ago - 1 comment

#60 - Further doc updates

Pull Request - State: closed - Opened by Tomnl about 5 years ago - 1 comment

#59 - Documation and galaxy updates

Pull Request - State: closed - Opened by Tomnl about 5 years ago

#58 - combineAnnotation - overhaul

Pull Request - State: closed - Opened by Tomnl over 5 years ago - 1 comment

#57 - createMSP - include_adducts param

Pull Request - State: closed - Opened by Tomnl over 5 years ago - 1 comment

#56 - added ppm option for interpolation

Pull Request - State: closed - Opened by Tomnl over 5 years ago - 1 comment

#55 - Update adduct handling for createMSP

Pull Request - State: closed - Opened by Tomnl over 5 years ago - 1 comment

#54 - EIC fix for msms data

Pull Request - State: closed - Opened by Tomnl over 5 years ago - 1 comment

#53 - combineAnnotation function too slow

Issue - State: closed - Opened by Tomnl over 5 years ago - 1 comment

#52 - Bug fixes found from testing msPurity-galaxy

Pull Request - State: closed - Opened by Tomnl over 5 years ago - 1 comment

#51 - Precursor ion purity calculations for mzXML and other file formats

Issue - State: open - Opened by Tomnl over 5 years ago
Labels: enhancement

#50 - purity score calculation

Issue - State: closed - Opened by jsaintvanne over 5 years ago - 5 comments

#49 - Troubleshoot mac biocon failure

Pull Request - State: closed - Opened by Tomnl over 5 years ago - 1 comment

#48 - Handle duplicate grpid in metadata for createMSP

Pull Request - State: closed - Opened by Tomnl over 5 years ago - 1 comment

#47 - Doc review

Pull Request - State: closed - Opened by Tomnl over 5 years ago - 1 comment

#45 - MSnbase update

Issue - State: open - Opened by Tomnl over 5 years ago
Labels: enhancement

#44 - Fixed devtools::test() failing if context() isn't defined

Pull Request - State: closed - Opened by andzajan over 5 years ago

#43 - xcms3 update

Pull Request - State: closed - Opened by jsaintvanne over 5 years ago - 8 comments

#42 - MSP and combine annotations update

Pull Request - State: closed - Opened by Tomnl over 5 years ago

#41 - Combine annotation rank update

Pull Request - State: closed - Opened by Tomnl over 5 years ago

#40 - Combine annotation (Updates for Galaxy tool)

Pull Request - State: closed - Opened by Tomnl almost 6 years ago

#39 - [WIP] Double input support

Pull Request - State: closed - Opened by jsaintvanne almost 6 years ago - 20 comments

#38 - Combine annotations functionality

Pull Request - State: closed - Opened by Tomnl almost 6 years ago

#37 - Spectral matching (MSP)

Issue - State: closed - Opened by Tomnl almost 6 years ago - 1 comment
Labels: enhancement

#36 - add filter for create msp

Pull Request - State: closed - Opened by RJMW almost 6 years ago

#35 - minnum flag update

Pull Request - State: closed - Opened by Tomnl almost 6 years ago

#34 - Filter fragmentation prior to averaging

Pull Request - State: closed - Opened by Tomnl almost 6 years ago

#32 - Bug fix for SNR calculation for averaging

Pull Request - State: closed - Opened by Tomnl almost 6 years ago

#31 - Add feedback reference between pa@av_spectra and pa@grped_df objects

Issue - State: open - Opened by andzajan almost 6 years ago
Labels: enhancement

#30 - minfrac pass flag bug fix

Pull Request - State: closed - Opened by Tomnl almost 6 years ago

#29 - av empty fix

Pull Request - State: closed - Opened by Tomnl almost 6 years ago

#28 - Bugfix av db

Pull Request - State: closed - Opened by Tomnl almost 6 years ago

#27 - bug fix when intra has data.frame of nrow=1

Pull Request - State: closed - Opened by Tomnl almost 6 years ago

#26 - update test for spectral matching (too time consuming)

Pull Request - State: closed - Opened by Tomnl almost 6 years ago

#25 - Spectral matching bugfix

Pull Request - State: closed - Opened by Tomnl almost 6 years ago

#24 - Spectral matching rt filter and new match factor algorithm implementation

Pull Request - State: closed - Opened by Tomnl almost 6 years ago

#23 - Database design

Issue - State: closed - Opened by Tomnl almost 6 years ago - 1 comment
Labels: enhancement

#22 - Average Inter fix for Galaxy

Pull Request - State: closed - Opened by Tomnl almost 6 years ago

#20 - Retention time filter for spectral matching

Pull Request - State: closed - Opened by Tomnl about 6 years ago

#19 - Retention time filter for spectral matching

Pull Request - State: closed - Opened by Tomnl about 6 years ago

#18 - Spectral matching for LC-MS/MS

Pull Request - State: closed - Opened by Tomnl about 6 years ago

#17 - LC-MSMS averaging and MSP creation

Pull Request - State: closed - Opened by Tomnl about 6 years ago

#16 - Spectral matching documentation update (v1.9.1)

Pull Request - State: closed - Opened by Tomnl about 6 years ago

#15 - [WIP] Update to be able to work with different files

Pull Request - State: closed - Opened by jsaintvanne about 6 years ago - 2 comments

#14 - flag remove peaks, frag4feature update, and database fixes

Pull Request - State: closed - Opened by Tomnl over 6 years ago

#13 - Pos neg switch fix

Pull Request - State: closed - Opened by Tomnl over 6 years ago

#12 - Database update

Pull Request - State: closed - Opened by Tomnl over 6 years ago

#11 - Simstitch update

Pull Request - State: closed - Opened by Tomnl about 7 years ago

#10 - Spectral matching

Pull Request - State: closed - Opened by Tomnl about 7 years ago

#9 - removed 'filled peaks' from purityX calculation

Pull Request - State: closed - Opened by Tomnl over 7 years ago

#8 - purityX does not work when fill peaks has been used

Issue - State: closed - Opened by Tomnl over 7 years ago
Labels: bug

#7 - Single file xcms purity

Pull Request - State: closed - Opened by Tomnl almost 8 years ago

#6 - purityX on single file

Issue - State: closed - Opened by Tomnl almost 8 years ago - 1 comment
Labels: enhancement

#5 - bug fix for groupPeaks

Pull Request - State: closed - Opened by Tomnl almost 8 years ago

#4 - groupPeaks function (clustering bug)

Issue - State: closed - Opened by Tomnl almost 8 years ago - 1 comment
Labels: bug

#3 - Isotopes

Pull Request - State: closed - Opened by Tomnl almost 8 years ago

#2 - Spectral matching

Issue - State: closed - Opened by Tomnl almost 8 years ago
Labels: enhancement