NEWS.md

In sipss/AlpsLCMS: Signal processing of LC-MS metabolomics

AlpsLCMS 0.0.0.9009

• featurevalues -> feature_values
• labelled_adducts -> labelling
• do.findmain -> do_findmain
• Extended documentation
• New gh page with logo

AlpsLCMS 0.0.0.9008

• Adding new gh page
• Name of certain functions updated:
• lcms_group_peaks -> IPO_group_peaks
• lcms_align_rtime -> obiAdjust_Rtime
• adjustRtime (xcms) -> adjustRT
• lcms_find_chrom_peaks_cwp -> find_peaks_cwp
• Ramcluster -> clustering
• PeakDensityParam (xcms) -> PeakDensityPar
• groupChromPeaks -> groupPeaks
• PeakGroupsParam -> PeakGroupsPar
• Vignettes updated

AlpsLCMS 0.0.0.9007

• Adding RAMClustR functions
• Fixing DESCRIPTION file
• Checking dependencies

NIHSnmr 0.0.0.9006

• Modifications in functions for assignation (known_metabolites and assignation_pos_HMDB)

NIHSnmr 0.0.0.9005

• Bug correction in functions related to IPO and XCMS dependencies
• Add the HMDB template
• Add functions for naive annotation based on the HMDB
• Add function for detection of known metabolites as M+H and M-H
• Add function for manual inspection of a known metabolite (it requires knowledge of the RT and MS)
• Add documentation of functions for annotation
• Remove of large example datasets
• Enhance of the manual setting of parameters in XCMS-related functions

NIHSnmr 0.0.0.9004

• Bug correction in functions lcms_peak_table_pca and lcms_convert_ipo_to_xcms
• Coherent style for function documentation (Third person and passive form)

NIHSnmr 0.0.0.9003

• First version of the complete metabolominc workflow included
• Documentation finished.
• Example dataset included.
• Example for function use included.

NIHSnmr 0.0.0.9002

• Problems with examples set to 'notrun'

NIHSnmr 0.0.0.9001

• Generation of the package

sipss/AlpsLCMS documentation built on May 13, 2021, 6:18 p.m.