The MPEAK program is used to locate peaks in 3D spectra. It uses a simple algorithm, in which a point is considered a peak if the value is above a certain threshold, and the values at the six surrounding points are all less than the center point.
The MPEAK program is called as follows:
<Machine ID>mpeak
All parameters to the program are read from standard input, possible redirected to a file.
The following is a list of all commands accepted by the MPEAK program. Processing starts when the GO command has been read. All commands must be given in upper-case.
Format:
DATAFILE <name> <expno> <procno> <disk> <user>
Description:
Defines the name of the file containing the 3D data set to be processed.
Format:
BASELINE <type>
Description:
Selects the baseline correction algorithm. Currently only LEGENDRE is supported.
Format:
BASEORDER <order>
Description:
Selects the order of the polynomia used for the baseline correction. The BASELINE command must be specified as well.
Format:
PEAKFILE <filename>
Description:
Defines the name of the file to be generated.
Format:
CUTOFF <value>
Description:
Selects the cutoff for the peak search: A point is considered a center of a peak, if its value is above value and all six points next to it are lower than the center point.
Format:
RANGE <value>
Description:
Defines the number of neighbor points to analyze. Normally, use the value 1 for value. If value is specified as 2, the 12 points next to the center peak must have a value less than the center value.
Format:
GO
Description:
Start analyzing the spectrum, and produce an output file containing the peaks. Currently, this output file can only be used to set markers during contouring.
Format:
QUIT
Description:
Terminates the program.