Exact(1)
Upon loading this file in the Excel spreadsheet, the VBA program searches and locates the line and rectangular patterns of the correlations (investigative barcodes) in the peak listing of the 2D HMBC spectrum.
Similar(59)
Most of the peaks listed in Table 7 are evident here.
The autocorrelation peaks listed in the table range from 0.5803 to 0.8496.
Peaks listed were present in at least two independent samples.
Within the non-similar conditions, a special case was made for conditions where one peak list was at least two times bigger than another and more than 70% of the smaller peaks list overlapped with the common peak list.
Unidentified peaks were thereafter removed from the obtained peak list.
Finally, the peak list retrieved from the blank THF sample was subtracted from the resulting peak list.
Finally, the in silico fragments are matched against the query peak list provided by CASMI.
The simplified peak lists were analyzed by PMF using search algorithms, such as Mascot or MS-Fit.
The program MS-Screener (Version 1.0.1) was applied to evaluate large datasets of peak lists.
The final peak lists were saved in plain text format and Mascot Generic Format (MGF).
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