enviGCMS 0.5.0

• CRAN

Major changes from last CRAN version 0.3.4

• use list to communicate results between function instead of xcms objects
• getdoe function to handle data for various experimental design
• add functions and shiny application for Short-Chain Chlorinated Paraffins analysis
• update the visulization function
• support xcms 3 new objects

enviGCMS 0.4.5

Major changes

• remove GlobalStd function and shiny application into pmd package
• remove batch correction and simulation function into mzrtsim package
• add shiny application for sccp analysis
• add deprecated function
• update vignettes

enviGCMS 0.4.4

Major changes

• Shiny application for GlobalStd
• New GlobalStd algorithm
• New paired analysis based on retention time hierarchical clustering, paired mass differences(PMD), PMD frequency analysis
• Remove mass defect related analysis
• Plot function for paired analysis
• Plot function for GlobalStd result
• Organize the codes

Minor changes

• Add Mode function
• reformate code by formatR package

enviGCMS 0.4.3

Major changes

• RT cluster analysis for tentative isotope, adducts, and neutral loss peaks detection
• Correlation analysis to select the feature peaks within rt groups
• Mass defect(cluster) analysis for homologous series detection
• Add csv file generation for simulation data
• Add heatmap for mzrt profile
• Add index to plotpca

Minor changes

• Fit xcms 3 new function in getdata2
• Change the default name for metaboanalyst
• remove nonascll in CITATION
• remove faahKO package and MSnbase version for cran check

enviGCMS 0.4.2

Major changes

• update Vignette
• add function for SCCP analysis
• add peak list filter function based mass difference

Minor changes

• add seealso

enviGCMS 0.4.1

Major changes

• add batch correction methods with p-value and q-value: sva, isva
• remove svadata and svaupload
• add mzrtsim to simulate mzrt profile
• add simmzrt to make simulation input data
• add rlaplot and ridagesplot to show the distribution of the data

Minor changes

• revise citation keywords

enviGCMS 0.4.0

Major changes

• Add getdoe and remove former DoE related function
• Change the plot function from xcmsset based to list based
• Add support for xcms 3 function

Tips

• Former related functions could be found in xsetplus package here: https://github.com/yufree/xsetplus