getSenior3.MFobject: getSenior3

Description Usage Arguments References

View source: R/Methods_MFobject.R

Description

calculate the sum of valences minus twice (the number of atoms minus 1) (to check for Senior's third theorem, "Golden Rule #2")[1][2][3]

Usage

1

Arguments

MF

MFobject as constructed by makeMF

References

  1. Kind T, Fiehn O (2007) Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry. BMC Bioinformatics 8:105. doi: 10.1186/1471-2105-8-105

  2. Senior JK (1951) Partitions and Their Representative Graphs. Am J Math 73:663. doi: 10.2307/2372318

  3. Morikawa T, Newbold BT (2003) Analogous odd-even parities in mathematics and chemistry. Chemistry 12:445–450


mjhelf/MassTools documentation built on Nov. 19, 2021, 2:38 a.m.