# HG changeset patch # User lecorguille # Date 1470995247 14400 # Node ID 58679e85745f22db7d8b5990095839565e5d3a37 # Parent 761312f27add0ac02b3c2216da7de45b840753dd planemo upload for repository https://github.com/workflow4metabolomics/nmr_bucketing commit 7cd224b2cbddcb2535640a3f76194bd235acb602-dirty diff -r 761312f27add -r 58679e85745f NmrBucketing_script.R --- a/NmrBucketing_script.R Fri Aug 12 03:45:27 2016 -0400 +++ b/NmrBucketing_script.R Fri Aug 12 05:47:27 2016 -0400 @@ -206,8 +206,11 @@ if (graph == "Overlay") { + x <- 1:length(bucketedSpectra[,1]) ymax <- max(bucketedSpectra) - plot(1:length(bucketedSpectra[,1]),bucketedSpectra[,1],ylim=c(0,ymax),type='l',col=1,xlab="Chemical shift",ylab="Intensity") + plot(x,bucketedSpectra[,1],ylim=c(0,ymax),type='l',col=1,xlab="",xaxt="n",ylab="Intensity") + # x-axis labels + axis(1, at=seq(1,length(x),by=50),labels=gsub("B","",rownames(bucketedSpectra)[seq(1,length(x),by=50)]), las=2) for (i in 2:ncol(bucketedSpectra)) { spectre <- bucketedSpectra[,i] @@ -219,7 +222,9 @@ { for (i in 1:ncol(bucketedSpectra)) { - plot(1:length(bucketedSpectra[,i]),bucketedSpectra[,i],type='l',col=1,xlab="Chemical shift",ylab="Intensity") + x <- 1:length(bucketedSpectra[,1]) + plot(x,bucketedSpectra[,i],type='l',col=1,xlab="",xaxt="n",ylab="Intensity") + axis(1, at=seq(1,length(x),by=50),labels=gsub("B","",rownames(bucketedSpectra)[seq(1,length(x),by=50)]), las=2) } } dev.off() diff -r 761312f27add -r 58679e85745f NmrBucketing_xml.xml --- a/NmrBucketing_xml.xml Fri Aug 12 03:45:27 2016 -0400 +++ b/NmrBucketing_xml.xml Fri Aug 12 05:47:27 2016 -0400 @@ -1,4 +1,4 @@ - + Bucketing and integration of NMR Bruker raw data @@ -270,6 +270,21 @@ .. image:: ./static/images/Mth_Travaux.png :width: 100 +--------------------------------------------------- + +Changelog/News +-------------- + +**Version 1.0.2 - 12/08/2016** + +- ENHANCEMENT: x-axis customization: add chemical shift labels + +**Version 1.0.1 - 04/04/2016** + +- TEST: refactoring to pass planemo test using conda dependencies + + +**Version 2015-01-08 - 08/01/2015** diff -r 761312f27add -r 58679e85745f README.rst --- a/README.rst Fri Aug 12 03:45:27 2016 -0400 +++ b/README.rst Fri Aug 12 05:47:27 2016 -0400 @@ -2,6 +2,10 @@ Changelog/News -------------- +**Version 1.0.2 - 12/08/2016** + +- ENHANCEMENT: x-axis customization: add chemical shift labels + **Version 1.0.1 - 04/04/2016** - TEST: refactoring to pass planemo test using conda dependencies