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MzJava includes functionality to perform mass calculation, peak processing (e.g. centroiding, filtering, transforming), spectrum alignment and clustering, protein digestion, fragmentation of peptides and glycans as well as scoring functions for spectrum spectrum and peptide/glycan-spectrum matches.
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This step included mass correction, chromatograms and spectra alignment and peak detection using default parameters.
During peak table alignment using the comparison feature imbedded in ChromaToF software (LECO), mass spectra alignment was accepted at a similarity threshold of 500/1000.
Next, the results were filtered manually with a maximal mass error acceptance of 1.3 ppm, the error caused by spectra alignment.
Files from each run were either analysed as '.d' files or exported as '.mzXML' files, to be further elaborated for spectra alignment, peak picking and quantitation with InSilicos Viewer 1.5.4 (Insilicos LLC; Seattle, WA, USA).
Two of the in vitro sites (S187 and S189) were confirmed in vivo and are summarized in Figure 3A (see Figures S4 and S2 for Mad2 phospho-peptide spectra, alignments, and Mph1 sites).
SGN neurites on unpatterned polymer substrates extend randomly as demonstrated by the relatively equal distribution of neurite segment angles across the 0 90° spectrum of alignment.
Below the MS/MS spectra, the alignment between the Sanger (top) and TIGR (below) annotation is shown, indicating that the identified sequence was only annotated as part of the Aspartate transaminase gene in the TIGR dataset (underlined).
Mel-frequency cepstral coefficients (MFCCs) are calculated from the STRAIGHT spectrum to obtain alignment information in DTW.
Numerical studies of the energy spectrum and the alignment between the vorticity and the eigenvectors of the stretching tensor for three-dimensional turbulent flows with Re = 200 are used to explore the utility of the model.
Fig. 21 is the spectrum for this alignment.
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