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|Home ChemPack TRANSPEC Data Exchange Format Keywords TRANSPEC Keywords - Overview|
|See also: TRANSPEC contents, /CASNR, /EOR, /QUALCD, /ORIGIN, /CONTAB, /CTAB, /CTABG, /FORMUL, /PEAKS|
TRANSPEC Keywords - Overview
The description below shows the definition of all available keywords as well as the meaning and format of the associated parameters. The format is defined by a FORTRAN-like notation. In general, all numerical data in a line have to be separated by at least one blank; strings should be stored left-adjusted.
A record is enclosed by the keywords /IDENT and /EOR. If some keyword is defined several times within one record the first of occurrence of that keyword is valid, all other occurrences are discarded (with the only exception being the keyword /NAME, for which alternative substance names may be used). If, for example, the keyword /MOLWGT is found twice within a record, the first time specifying MolWgt = 255, the second time MolWgt = 102, only the first specification is regarded to be valid. However, this situation should never occur and any program meeting such a problem should report this error to the user.
The following keywords are currently defined: