Dataset Parameter File

Dataset Parameter File
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When NMRView opens a spectral dataset it also attempts to open an associated parameter file. It looks for a file of the same name as the dataset, but with the extension .par. For example, if the dataset is named "noesy.mat", it will look for a parameter file named "noesy.par". If the dataset is simply named "noesy", it will also look for "noesy.par". If the dataset is in the FELIX format the parameter values in the .par file will override the parameters specified internally in the .mat file. The parameter file consists of a series of lines, each one consisting of a keyword followed by one or more parameters. The keywords are as follows.

header fileHeaderSize blockHeaderSize

The header sizes must be specified if the file is not declared to be a FELIX or VNMR file. A generic description of some NMR data files is as follows:

                fileHeader blockHeader1 dataBlock1 blockHeader2 dataBlock2 . . . blockHeaderN
                dataBlockN

The size of the fileHeader (in bytes) is specified with the fileHeaderSizeparameter. The size of the blockHeader (in bytes) is specified with the blockHeaderSizeparameter. One or both of these values may be 0. For example, a file may have a 16384 byte fileHeader, and no blockHeaders. This would be described as header 16384 0

Or a file may have both, for example with a 32 byte fileHeader and a 28 byte blockHeader

header 32 28

felix

Specify that the file has the format used by the program FELIX. NMRView will attempt to extract the file attributes and referencing information from the header. The current version of NMRView should automatically determine if files are in the FELIX format so this should not be necessary.

vnmr

Specify that the file has the format used by the program VNMR. NMRView will attempt to extract the file attributes and referencing information from the header. NOTE: It is really more efficient (of memory use) to convert VNMR files to a better format. The current version of NMRView should automatically determine if files are in the VNMR format so this should command not be necessary.

dim nDim size1 blockSize1 ... sizeN blockSizeN

Specify the number of dimensions in the file (1-4). The sizeparameters specify the number of datapoints along each dimension. The blockSizeparameters specify the number of datapoints in each block for each dimension. For example, a 2D file with 1024x1024 points and 64x64 points in each block would be specified as: dim 2 1024 1024 64 64

sw dimNum sweepWidth

Set the sweepwidth for dimension dimNumto sweepWidth. Dimensions are specified as an integer from 1 to 4. For example,

sw 1 6000.0

sf dimNum specFreq

Set the spectrometer frequency for dimension dimNumto specFreq. Dimensions are specified as an integer from 1 to 4. For example,

sf 1 599.4

reference dimNum refPPM refPT

Reference dimension dimNumto a chemical shift of refPPMat dataset point refPT. Dimensions are specified as an integer from 1 to 4. For example,

reference 2 4.73 513

label dimNum label

Set the label used for dimension dimNumto label. Dimensions are specified as an integer from 1 to 4. For example,

label 3 15N

The label value is used primarily for correlating crosshairs between spectra and peak dimensions with dataset dimensions.

dlabel dimNum label

Set the label used for dimension dimNumto label. Dimensions are specified as an integer from 1 to 4. For example,

label 3 15N

The dlabel value is used primarily the visual label that appears on the axes of spectra.