Finds LC-IMS-MS features using deisotoped features from DeconTools
The LC-IMS-MS Feature Finder finds LC-IMS-MS features and conformers using deisotoped features from DeconTools. Required files are a DeconTools _isos.csv file plus the corresponding .UIMF file if UseConformationDetection is True.
A features file is created by clustering together isotopic profiles that are believed to be from the same isotopic signature eluting over a period of time. Each feature in the file has representative mass, elution time, drift time and charge state values that define the feature.
All publications that utilize this software should provide appropriate acknowledgement to PNNL and the LC-IMS-MS-Feature-Finder GitHub repository. However, if the software is extended or modified, then any subsequent publications should include a more extensive statement, as shown in the Readme file for the given application or on the website that more fully describes the application.
These programs are primarily designed to run on Windows machines. Please use them at your own risk. This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor Battelle, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights.
Portions of this research were supported by the NIH National Center for Research Resources (Grant RR018522), the W.R. Wiley Environmental Molecular Science Laboratory (a national scientific user facility sponsored by the U.S. Department of Energy’s Office of Biological and Environmental Research and located at PNNL), and the National Institute of Allergy and Infectious Diseases (NIH/DHHS through interagency agreement Y1-AI-4894-01). PNNL is operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC05-76RL0 1830.
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