Isotopic Profile Calculator

Peak Spacing and Intensity Cutoff are presented at https://github.com/idslme/IDSL.UFA/wiki/Peak-Spacing-and-Intensity-Cutoff
Standard Adduct Type: https://github.com/idslme/IDSL.UFA/wiki/Standard-Adduct-Type

Consistent Labeled Isotopes: https://github.com/idslme/IDSL.UFA/wiki/Consistent-Labeled-Isotopes

Developed by:

Sadjad Fakouri Baygi, PhD ( https://github.com/sajfb )

R package: https://CRAN.R-project.org/package=IDSL.SUFA

Fakouri Baygi, S., Banerjee S. K., Chakraborty P., Kumar, Y. Barupal, D.K. IDSL.UFA assigns high confidence molecular formula annotations for untargeted LC/HRMS datasets in metabolomics and exposomics. Analytical Chemistry, 2022, 94(39), 13315–13322.