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Will Edmands's repositories

compMS2Miner

metabolite identification R-package for metabolomic high-resolution LC-MS datasets.

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MetMSLine

R functions for automation of biomarker discovery based on processing downstream of large LC-MS datasets from any peak picking software

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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.

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MetMSLine_Scripts

R scripts for automation of Metabolomic data analysis

Language:RGPL-2.02 10

mspFiles

msp databases for online access with SMILES codes added

200

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.

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