Bruker Users Page

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Mark Mowery has been a research chemist at Pharmacia & Upjohn since 1991. He presently works in the Structure Elucidation Lab where he operates and maintains Bruker AMX300, AMX400 and DRX500 spectrometers. He oversees the automation of all instruments in addition to structure elucidation and NMR database generation. As part of this function he has developed a JCAMP AU program which can be inserted into other automated processing programs for Bruker instruments. This program creates a JCAMP file, eliminating the need to transfer whole experimental directories from the instrument to the computer where ACD/Labs software resides. Simple FTP allows batch transfer of files. The name of the program is "Autojcmph".

Mark offered us access to the program to freely distribute and encourages users to improve it if they wish! The program listing is given below.

************************************************************************

char jname[200];

GETCURDATA

{(void)sprintf(Hilfs_string, "tojdx %s %d %d %s %s %s", \

"/u/data/jcamp.dx",0,3,\

"titlename", "BRUKER", "guest"); \

SETCURDATA AUERR=CPR_exec(Hilfs_string, WAIT_TERM);}

sprintf(jname,"cp /u/data/jcamp.dx /u/data/%s%-s",name,"h");

System(jname);

quit

*************************************************************************

The pathname of the output file, in this case /u/data/jcamp.dx

The output type is one of three choices: 0, 1 or 2

0=FID, 1=real spectrum, 2=complex spectrum.

The compression mode is one of four choices: 0, 1, 2, 3

0=FIX, 1=PACKED, 2=SQUEEZED, 3=DIFF/DUP

Titlename, BRUKER and guest are the last three variables Bruker suggests using. However, the following can be used for ideas:

titlename can be location of instrument i.e. "R&D", "Process Development" or "QA/QC"

BRUKER can be type of instrument i.e. "AMX400", "DRX500" or "AM300"

guest can be the system administrator

The sprintf line takes the jcamp.dx name and copies it as the original name used in the experiment. We use, for example "aug0515" where:

aug is the month

05 is the day

15 is the position of the sample in the sample changer.

This gives us seven characters to use when transferring files to DOS-based computers. We can stick an "h" on the end to distinguish the ¹H fid from the ¹³C fid ("c"). The appropriate ¹H or ¹³C JCAMP program will then be used in the appropriate ¹H or ¹³C processing program.