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Digital
Library of the European Council for Modelling and Simulation |
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Title: |
Robust Simulation Of Imaging Mass Spectrometry Data |
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Authors: |
Anastasia Sarycheva, Anton Grigoryev, Evgeny N. Nikolaev, Yury Kostyukevich |
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Published in:
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(2021). ECMS 2021,
35th Proceedings DOI: http://doi.org/10.7148/2021 ISSN:
2522-2422 (ONLINE) ISSN:
2522-2414 (PRINT) ISSN:
2522-2430 (CD-ROM) ISBN: 978-3-937436-72-2 Communications of the ECMS , Volume 35, Issue 1, June 2021, United Kingdom |
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Citation
format: |
Anastasia Sarycheva,
Anton Grigoryev, Evgeny
N. Nikolaev, Yury Kostyukevich (2021). Robust Simulation Of Imaging Mass
Spectrometry Data, ECMS 2021 Proceedings Edited
By: Khalid Al-Begain, Mauro Iacono,
Lelio Campanile, Andrzej Bargiela European Council for Modeling and Simulation. doi: 10.7148/2021-0192 |
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DOI: |
https://doi.org/10.7148/2021-0192 |
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Abstract: |
Mass
spectrometry imaging (MSI) with high resolution in mass and space is an analytical
method that produces distributions of ions on a sample surface. The
algorithms for preprocessing and analysis of the raw data acquired from a
mass spectrometer should be evaluated. To do that, the ion composition at
every point of the sample should be known. This is possible via the employment
of a simulated MSI dataset. In this work, we suggest a pipeline for a robust
simulation of MSI datasets that resemble real data with an option to simulate
the spectra acquired from any mass spectrometry instrument through the use of
the experimental MSI datasets to extract simulation parameters. |
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