R: Isotope Pattern, Profile and Centroid Calculation for Mass Spectrometry

# Isotope Pattern, Profile and Centroid Calculation for Mass Spectrometry

## Documentation for package ‘enviPat’ version 2.6

- DESCRIPTION file.

## Help Pages

enviPat-package | Calculation of isotope patterns, stick profiles (envelopes) and centroids/intensoids for mass spectrometry.
adducts | Adduct list
check_chemform | Check chemical formulas
check_ded | Check if a chemical formula is subset in another one
check_several | Check for overlapping molecules.
chemforms | Set of exemplary chemical formulas for small molecules.
envelope | Isotope pattern envelope calculation
enviPat | Calculation of isotope patterns, stick profiles (envelopes) and centroids/intensoids for mass spectrometry.
getR | Interpolation of MS measurement resolution
isopattern | Isotope pattern calculation
isotopes | Stable isotopes
isowrap | Combined (batch) calculation of isotope pattern, envelope and centroids/intensoids/valleys on interpolated resolutions.
mergeform | Combine chemical formulas
multiform | Multiply a chemical formula
resolution_list | Resolutions (R) list for mass spectrometers
subform | Subtract one chemical formula from another
vdetect | Valley detection and centroidization