genform generates candidate molecular formulas from high-resolution MS data. It calculates match values (MV) that show how well candidate molecular formulas fit the MS isotope peak distributions (MS MV) and the high-resolution MS/MS fragment peak masses (MS/MS MV). Finally it computes a combined match value from these two scores. |
hg clone https://toolshed.g2.bx.psu.edu/repos/workflow4metabolomics/genform
Name | Description | Version | Minimum Galaxy Version |
---|---|---|---|
Generation of molecular formulas by high-resolution MS and MS/MS data | 8 | 16.01 |