Description Usage Arguments References
View source: R/Methods_MFobject.R
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]
1 |
MF |
MFobject as constructed by |
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
Senior JK (1951) Partitions and Their Representative Graphs. Am J Math 73:663. doi: 10.2307/2372318
Morikawa T, Newbold BT (2003) Analogous odd-even parities in mathematics and chemistry. Chemistry 12:445–450
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