Mercurial > repos > pieterlukasse > prims_metabolomics2
diff metaMS/README.txt @ 14:346ff9ad8c7a
fix for rankfilter, removed pfd read functional
author | linda.bakker@wur.nl <linda.bakker@wur.nl> |
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date | Fri, 20 Mar 2015 17:10:04 +0100 |
parents | 4393f982d18f |
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--- a/metaMS/README.txt Thu Mar 19 15:04:56 2015 +0100 +++ b/metaMS/README.txt Fri Mar 20 17:10:04 2015 +0100 @@ -1,70 +1,74 @@ Wrappers for: -- the metaMS R package by Ron Wehrens. -- the xcms package. +- the metaMS R package by Ron Wehrens (https://github.com/rwehrens/metaMS.git) +- the xcms package (https://xcmsonline.scripps.edu/, http://www.bioconductor.org/packages/release/bioc/html/xcms.html) +- the CAMERA tool ( http://www.bioconductor.org/packages/release/bioc/html/CAMERA.html) Wrappers written by Pieter Lukasse. -Installation (when updating: close all vignettes [i.e. pdfs/manuals] !) +=======Installation (when updating: close all vignettes [i.e. pdfs/manuals] !)============ -In R: +In R execute: source("http://bioconductor.org/biocLite.R") biocLite("metaMS") biocLite("multtest") -#biocLite("R2HTML") + # for "multi-threading" (actually starts multiple R processes for parallel processing): install.packages("snow") install.packages("Cairo") +>> Running the wrappers: go to <this> directory and execute: + ======Run metaMS_cmd_pick_and_group.r with:================= -E:\workspace\PRIMS-metabolomics\python-tools\tools\metaMS>Rscript metaMS_cmd_pick_and_group.r test/extdata.zip test/example_settings.txt test/out/peakTable.txt test/out/xsAnnotatePrep.rdata positive test/out/html_peaks.html test/out +Rscript metaMS_cmd_pick_and_group.r test/extdata.zip test/example_settings.txt test/out/peakTable.txt test/out/xsAnnotatePrep.rdata positive test/out/html_peaks.html test/out ======Run metaMS_cmd_annotate.r with:================= -E:\workspace\PRIMS-metabolomics\python-tools\tools\metaMS>Rscript metaMS_cmd_annotate.r test/LCDBtest.RData test/out/xsAnnotatePrep.rdata test/example_settings.txt test/out/annotationTable.txt "0" test/out/html_annot.html test/out +Rscript metaMS_cmd_annotate.r test/LCDBtest.RData test/out/xsAnnotatePrep.rdata test/example_settings.txt test/out/annotationTable.txt "0" test/out/html_annot.html test/out ======Run xcms_differential_analysis.r with:================= -E:\workspace\PRIMS-metabolomics\python-tools\tools\metaMS>Rscript xcms_differential_analysis.r test/out/xsAnnotatePrep.rdata "CLASS1" "CLASS2" 10 test/out2/outtable.tsv test/out2/html/html.html test/out2/html +Rscript xcms_differential_analysis.r test/out/xsAnnotatePrep.rdata "CLASS1" "CLASS2" 10 test/out2/outtable.tsv test/out2/html/html.html test/out2/html ======Run xcms_get_eic.r with:================= -E:\workspace\PRIMS-metabolomics\python-tools\tools\metaMS>Rscript xcms_get_alignment_eic.r test/out/xsAnnotatePrep.rdata 10 300 3 STDmix_GC_01,STDmix_GC_02 test/out3/html/html.html test/out3/html +Rscript xcms_get_alignment_eic.r test/out/xsAnnotatePrep.rdata 10 300 3 STDmix_GC_01,STDmix_GC_02 test/out3/html/html.html test/out3/html OR -E:\workspace\PRIMS-metabolomics\python-tools\tools\metaMS>Rscript xcms_get_mass_eic.r test/out/xsAnnotatePrep.rdata 10 3000 -1 -1 "77.98,231.96" 5 STDmix_GC_01,STDmix_GC_02 Yes raw test/out4/html/html.html test/out4/html +Rscript xcms_get_mass_eic.r test/out/xsAnnotatePrep.rdata 10 3000 -1 -1 "77.98,231.96" 5 STDmix_GC_01,STDmix_GC_02 Yes raw test/out4/html/html.html test/out4/html !!!!!!!!!!!!!!!!Troubleshooting:!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! -NetCDF is required. If the following is found in the installation.log +(1) NetCDF is required. If the following is found in the installation.log : -In file included from rnetCDF.c:2:0: -rnetCDF.h:1:20: fatal error: netcdf.h: No such file or directory -compilation terminated. + In file included from rnetCDF.c:2:0: + rnetCDF.h:1:20: fatal error: netcdf.h: No such file or directory + compilation terminated. then metaMS will not have been installed and running the tool will result in error: -<simpleError in library(metaMS): there is no package called 'metaMS'> + + <simpleError in library(metaMS): there is no package called 'metaMS'> Possible solution: -> Install the -dev of those packages to get the headers that are - required to compile the package. In this case, you need libnetcdf-dev, udunits-bin and libudunits2-dev - (from http://stackoverflow.com/questions/11319698/how-to-install-r-packages-rnetcdf-and-ncdf-on-ubuntu) + > Install the -dev of those packages to get the headers that are + required to compile the package. In this case, you need libnetcdf-dev, udunits-bin and libudunits2-dev + (from http://stackoverflow.com/questions/11319698/how-to-install-r-packages-rnetcdf-and-ncdf-on-ubuntu) So ->>sudo apt-get install libnetcdf-dev, udunits-bin and libudunits2-dev + >>sudo apt-get install libnetcdf-dev, udunits-bin and libudunits2-dev -Cairo / no X11 mode is required. +(2) Cairo / "no X11" (headless) mode is required. Possible solution: -> install of cairo (http://www.cairographics.org/) and/or set CAIRO_CFLAGS/LIBS correspondingly. + > install of cairo (http://www.cairographics.org/) and/or set CAIRO_CFLAGS/LIBS correspondingly. So ->>sudo apt-get install libcairo2-dev + >>sudo apt-get install libcairo2-dev