Mercurial > repos > lecorguille > xcms_xcmsset
diff README.rst @ 15:b62808a2a008 draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 9f72e947d9c241d11221cad561f3525d27231857
author | lecorguille |
---|---|
date | Tue, 18 Sep 2018 16:07:36 -0400 |
parents | c934dd5c49a9 |
children | 87df3692c68d |
line wrap: on
line diff
--- a/README.rst Tue Feb 13 04:47:50 2018 -0500 +++ b/README.rst Tue Sep 18 16:07:36 2018 -0400 @@ -22,27 +22,47 @@ Changelog/News -------------- +**Version 3.0.0.0 - 08/03/2018** + +- UPGRADE: upgrade the xcms version from 1.46.0 to 3.0.0. So refactoring of a lot of underlying codes and methods. Some parameters may have been renamed. + +- NEW: a bunch of new options: Spectra Filters (previously scanrange), CentWave.(mzCenterFun, fitgauss, verboseColumns), MatchedFilter.(sigma, impute, baseValue, max), MSW.(verboseColumns), ... + +- UPDATE: since xcms 3.0.0, some options are no more available: scanrange (replace by filters), profmethod, MatchedFilter.step, MatchedFilter.sigma, MSW.winSize.noise, MSW.SNR.method + +- IMPROVEMENT: the advanced options are now in sections. It will allow you to access to all the parameters and to know their default values. + +- IMPROVEMENT: the tool "should" be now more flexible in term of file naming: it "should" accept space and comma. But don't be too imaginative :) + +- CHANGE: removing of the TIC and BPC plots. You can new use the dedicated tool "xcms plot chromatogram" + + **Version 2.1.1 - 29/11/2017** - BUGFIX: To avoid issues with accented letter in the parentFile tag of the mzXML files, we changed a hidden mechanim to LC_ALL=C + **Version 2.1.0 - 22/02/2017** - NEW: The W4M tools will be able now to take as input a single file. It will allow to submit in parallel several files and merge them afterward using "xcms.xcmsSet Merger" before "xcms.group". - BUGFIX: the default value of "matchedFilter" -> "Step size to use for profile generation" which was of 0.01 have been changed to fix with the XMCS default values to 0.1 + **Version 2.0.11 - 22/12/2016** - BUGFIX: propose scanrange for all methods + **Version 2.0.10 - 22/12/2016** - BUGFIX: when having only one group (i.e. one folder of raw data) the BPC and TIC pdf files do not contain any graph + **Version 2.0.9 - 06/07/2016** -- UPGRADE: upgrate the xcms version from 1.44.0 to 1.46.0 +- UPGRADE: upgrade the xcms version from 1.44.0 to 1.46.0 + **Version 2.0.8 - 06/04/2016** @@ -59,7 +79,7 @@ - UPDATE: refactoring of internal management of inputs/outputs -- UPDATE: refactoring to feed the new report tool +- TEST: refactoring to feed the new report tool **Version 2.0.2 - 18/01/2016**