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Changelog

Source: NEWS.md

CHANGES IN VERSION v0.02.0

Package test

MS2extract v0.02.0 has been tested for compatibility with PhenolicsDB v0.04.0

New functions

  • Create .mgf format for GNPS batch upload

  • write_mgf_gnps()

Documentation

Two more vignettes:

  • 3 - Behind the curtains of importing MS/MS data
  • 4 - Using MSconvert to convert MS/MS data

CHANGES IN VERSION v0.01.0

Package creation, available functions:

  • add_attributes
  • assign_scan_id()
  • batch_detect_mass()
  • batch_extract_MS2()
  • batch_import_mzxml()
  • check_metadata()
  • compare_spectra()
  • detect_mass()
  • extract_MS2()
  • extract_scan_info()
  • get_TIC()
  • get_ppm()
  • import_mzxml()
  • normalize_spec()
  • plot_MS2base()
  • plot_MS2spectra()
  • plot_tic()
  • ppm_range()
  • read_mzxml()
  • roi_filter()
  • write_msp()
  • write_msp_base()