Mercurial > repos > computational-metabolomics > mspurity_dimspredictpuritysingle

diff README.rst @ 9:548fed2ef792 draft

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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 20a48a1862267264f98b7c514287f9a5cba1143f
author computational-metabolomics
date Thu, 13 Jun 2024 11:40:06 +0000
parents 75b761fbacc0
children 07282699b0ca
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--- a/README.rst	Wed Jun 12 16:05:52 2024 +0000
+++ b/README.rst	Thu Jun 13 11:40:06 2024 +0000
@@ -3,13 +3,13 @@
 |Git| |Bioconda| |License|
 
 
-Version v1.16.2+galaxy2
+Version v1.28.0+galaxy0
 ------------------------
 
   - msPurity
-     - bioconductor-mspurity v1.16.2
+     - bioconductor-mspurity v1.28.0
   - Galaxy tools
-     - v2
+     - v0
 
 About
 ------
@@ -26,10 +26,8 @@
 * Bioconductor: http://bioconductor.org/packages/msPurity/
 * Vignette: https://bioconductor.org/packages/devel/bioc/vignettes/msPurity/inst/doc/msPurity-vignette.html
 * Manual: http://bioconductor.org/packages/devel/bioc/manuals/msPurity/man/msPurity.pdf
-* Bioconductor mirror code: https://github.com/Bioconductor-mirror/msPurity
 * Github code: https://github.com/computational-metabolomics/mspurity
 * Bioconda (stable): https://anaconda.org/bioconda/bioconductor-mspurity
-* Conda (dev and testing): https://anaconda.org/tomnl/bioconductor-mspurity
 
 
 Dependencies
@@ -54,6 +52,12 @@
 
 Changes
 -------------------------
+v1.28.0-galaxy0
+  - Version bump to v1.28.0
+  - createMSP now uses the median precursor MZ and precursor RT in the MSP files
+  - flagRemove updated to handle different xcms version objects internally within msPurity R function
+  - Relevant unit tests updated and further tidying up of repo
+
 v1.16.2-galaxy2 
   - Fix for purityX galaxy tool (https://github.com/computational-metabolomics/mspurity-galaxy/issues/53) 
   - Cleanup of xml based on updated lint requirements