Subject: Re: [nmr_sparky] how to keep integration when reading peak list into a nosey spectrum
From: e.ab@chem.leidenuniv.nl
Date: Aug 6, 2007
Previous: 410 Next: 412
Quoting JinzhongLin lithlin@... :
Dear sparky users,
I use cyana to automatically assign noesy spectrum. I create a
sparky readable peak list after running cyana. And the list contains
assignment, frequency, integration and others information to be notes.
But when i use rp to read the peak list to a c13noesy spectrum, it
only reads the assignment and frequency, the columns from the
integration are treated as peak notes. How can i keep the integraion?
because the integration is a laborious process.
thats how rp works. what you could try as a workaround is copy the
assignments from cyana to the original sparky peaks (with your integration)
open a second version of your noesy, read in the cyana peak lists with
assignments, and copy the assignments to the original spectrum. not that
existing assignments will not be overwritten, so you might have to
delete them first.
goodluck, Eiso
And do i need to remove all the orginal peaks of a spectrum before
reading a peak list?
By the way, i tried the cyanagarant extension from Enrico Morelli and
found it couldnt deal with multiple(ambigious) assignments from cyana.
I am not sure if anyone ever came across the same problem. I modified
the extenstion so that it can process peak list with multiple
assignments from cyana and at the same time convert the cyana atom name
to sparky atom name. I dont have a web site to put the scripts, so if
anyone do need it, just e-mail me.