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Processing and Visualization of Mass Spectrums
Beneš, Ondřej ; Bendl, Jaroslav (referee) ; Martínek, Tomáš (advisor)
One of new techniques in the field of analytical chemistry, which has more and more practical use, is mass spectrometry imaging. With its ability to record representation of substances in samples during the tissue analyze arise problem with a lot of output data which needs to be handled programmatically. The goal of this work is to create an software for processing and visualization data of new standard imzML. As a part of the work, the field of mass spectrometry, primarily MALDI TOF mass spectrometry, is briefly introduced. There are also introduced some methods for mass spectrometry data preprocessing. The work also contains a summary of current state of available software for processing and visualization of mass spectrometry data. With requests from cooperating laboratory a novel software is designed and implemented, which besides the visualization itself, can preprocess the data for example data smoothing with Savitzky-Golay method, internal calibration or peak detection with continuous wavelet transformation. The software was successfully tested on real data sets.
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Processing and Visualization of Mass Spectrums
Beneš, Ondřej ; Bendl, Jaroslav (referee) ; Martínek, Tomáš (advisor)
One of new techniques in the field of analytical chemistry, which has more and more practical use, is mass spectrometry imaging. With its ability to record representation of substances in samples during the tissue analyze arise problem with a lot of output data which needs to be handled programmatically. The goal of this work is to create an software for processing and visualization data of new standard imzML. As a part of the work, the field of mass spectrometry, primarily MALDI TOF mass spectrometry, is briefly introduced. There are also introduced some methods for mass spectrometry data preprocessing. The work also contains a summary of current state of available software for processing and visualization of mass spectrometry data. With requests from cooperating laboratory a novel software is designed and implemented, which besides the visualization itself, can preprocess the data for example data smoothing with Savitzky-Golay method, internal calibration or peak detection with continuous wavelet transformation. The software was successfully tested on real data sets.
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