py-tofspec#
py-tofspec provides a command line interface and python package for analyzing and labeling proton transfer
reaction time-of-flight mass spectrometry (PTR-TOF-MS) datasets.
There already exist many instrument specific software tools that locate peaks in a mass spectrum. Hence, as
its inputs py-tofspec takes a peak list alongside raw PTR-TOF-MS data and performs automated time series
generation and chemical speciation of compounds.