Defines alternative averagine models in the analysis that incorporate additional atoms and/or isotopic enrichments. Modifications are represented as text strings. Inclusion of additional atoms in the model is done using by entering an atomic formula,such as: PO2 or Cl. Inclusion of isotopic enrichment to the model is done by specifying the percent enrichment (as a decimal) followed by the atom being enriched and an index of the isotope. For example, 0.75H1 specifies 75% enrichment of the first heavy isotope of hydrogen. In other words, 75% deuterium enrichment. Two or more modifications can be combined into the same model, and separated by spaces: B2 0.5B1 This parameter can also be listed multiple times in the configuration file to include multiple competing averagine models in a single analysis. Setting this parameter to 0 disables use of modifications in the analysis.
1.0 to Current Release
averagine_mod = 0.25N1