The iso ratio file, used by the myXCLASS function indicates the isotopologues, iso master molecules and the corresponding iso ratios. Comments are marked with "%".
Example (iso ratio file for myXCLASS function):
% isotopologue: Iso-master: Iso-ratio: Lower-limit: upper-limit: CH3CN;v8=1; CH3CN;v=0; 1 C-13-H3CN;v=0; CH3CN;v=0; 16 CH3C-13-N;v=0; CH3CN;v=0; 16 CH3CN-15;v=0; CH3CN;v=0; 300 CH3OH;v12=1; CH3OH;v=0; 1 CH3OH;v12=1-0; CH3OH;v=0; 1 CH3OH;v12=2; CH3OH;v=0; 1 CH3OH;v12=2-0; CH3OH;v=0; 1 CH3OH;v12=2-1; CH3OH;v=0; 1 C-13-H3OH;v12=1; C-13-H3OH;v=0; 1 CH3O-18-H;v12=1; CH3O-18-H;v=0; 1 CH3O-18-H;v12=1-0; CH3O-18-H;v=0; 1 CH3O-18-H;v12=2; CH3O-18-H;v=0; 1 CH3O-18-H;v12=2-0; CH3O-18-H;v=0; 1 CH3O-18-H;v12=2-1; CH3O-18-H;v=0; 1 C-13-H3OH;v=0; CH3OH;v=0; 60 CH3O-18-H;v=0; CH3OH;v=0; 500 CH3OCHO;v18=1; CH3OCHO;v=0; 1 CH3OC-13-HO;v18=1; CH3OC-13-HO;v=0; 1 CH3OC-13-HO;v=0; CH3OCHO;v=0; 60 HNC-13-O;v=0; HNCO;v=0; 60 HN-15-CO;v=0; HNCO;v=0; 300