Will Edmands's repositories
compMS2Miner
metabolite identification R-package for metabolomic high-resolution LC-MS datasets.
simExTargId
Performs simultaneous raw data to mzXML conversion (MSConvert), peak-picking, automatic PCA outlier detection and statistical analysis, visualization and possible MS2 target list determination during an MS1 metabolomic profiling experiment.
MetMSLine_Scripts
R scripts for automation of Metabolomic data analysis
xcms
This is a read-only mirror of the Bioconductor SVN repository. Package Homepage: http://bioconductor.org/packages/devel/bioc/html/xcms.html Contributions: http://metlin.scripps.edu/download/ and https://github.com/sneumann/xcms. Bug Reports: https://support.bioconductor.org/p/new/post/?tag_val=xcms or https://github.com/sneumann/xcms/issues/new.