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-package | Calculation of isotope patterns, stick profiles (envelopes)... |
getR | Interpolation of MS measurement resolution |
isopattern | Isotope pattern calculation |
isotopes | Stable isotopes |
isowrap | Combined (batch) calculation of isotope pattern, envelope and... |
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 |
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