I have a large amount of Bruker Aspect data from CXP, MSL, and ACP machines.
The data are archived on CD-ROM's in native Bruker format. We can convert
files when needed to WINNMR format, but we don't have easy access to the
title commentary data until then, which would help us identify files. We
stored by a spectrum number that references a hard copy book. What I want
to do is extract the commentary data to a text file. I have done this with
Bruker Pascal on an Aspect computer, but the data are on a PC now. I want
to write a Delphi (visual Pascal) program to do this. I have the nmrpar.pas
format file, but unfortunately it references two items that are not
compatible with PC data structures. The first is the -1 sector; PC
blockreads don't reference sectors numbers per se or support random access,
as far as I know. Also I suspect that -1 sectors are a device Bruker came
up with to store a larger parameter file, probably at the end of the old
style data block. Second, the data structure uses 24 bit words, not 16 or
32 like PC's. I suspect that means a needed redefinition of all data types.
Does anyone out there have the conversion structure/conversion code for
DISNMR, DISCXP, and DISMSL files in PC format for either C, Pascal, or
Delphi? Or has someone already written a similar program?
I know that I could translate all files to JCAMP-DX, but that seems to
involve going first from Bruker Aspect format to WINNMR format and then to
JCAMP-DX. Also I would generate a lot of files that I probably don't need
right now, since all I really want is titles.
Any suggestions? I certainly don't need to re-invent the wheel.
Thanks.
Scott
C. Scott Blackwell
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C. Scott Blackwell voice:847-391-3905
UOP R&D fax: 847-391-3719
50 E. Algonquin Road email: csblackw@uop.com
Des Plaines, IL 60017
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