Re: New data in old programs (fwd)

From: Harold Toms <h.toms@qmul.ac.uk>
Date: Mon Apr 19 2010 - 06:32:34 EDT

Bruker Users Mail wrote:
> ---------- Forwarded message ----------
> Date: Thu, 15 Apr 2010 17:23:33 +0100
> From: Alan Boyd <a.s.f.boyd@hw.ac.uk>
> To: BUM List <bruker-users-mail@chemistry.mcmaster.ca>
> Subject: New data in old programs
>
> Dear BUMMmers,
>
> Does anyone know how (if at all) data from an AV3 instrument can be
> processed using MestreC v2.3? Our experience so far is that the program
> can't unwind the digital filter and the spectrum comes out as mince.
> MestreNova doesn't seem to have a problem, neither does iNMR. (But not
> everyone has the money to buy them).
>
> Thanks in advance,
>
> Alan
Dear Alan,

you've probably had all the answers you need for this... but just to 
staisfy my curiosity about AV3, is the problem the digital filters or 
the actual data format? I would have thought that even oldish software 
would be able to make something out of digitally filtered data, usually 
left shifts and/or first-order phase correction does the job. But, if 
the data is not integer but floating points doubles then I'd expect 
"mince" from older software. The parameter DTYPA (should be 0 for 
integer data) in the acqus file would show if the data is in the 
appropriate format. The other issue that can lead to "mince" is the 
endianness (BYTORDA=0/1), but I'd have thought most programs would check 
for that as the issue has been around a long time (since Bruker went 
from IRIX to Lindows).

I know that Kirk Marat's free software, Spinworks, should cope with the 
latest Bruker format (i.e. doubles as opposed to integers) and I'm 
toying with writing a simple conversion program to go from double -> int 
as I already do this in my Jeol -> Bruker conversion program so I have 
all the code bits available... just need to stick them together slightly 
differently.

-- 

regards

Harold Toms
http://iodine.chem.qmul.ac.uk

Received on Mon Apr 19 06:32:36 2010