URL: <http://gna.org/bugs/?11913> Summary: Problems with reading Sparky formatted file Project: relax Submitted by: rydog Submitted on: Friday 06/27/2008 at 23:10 Category: relax's source code Severity: 3 - Normal Priority: 5 - Normal Status: None Privacy: Public Assigned to: None Originator Name: Originator Email: Open/Closed: Open Discussion Lock: Any Release: 1.2.13 Operating System: GNU/Linux _______________________________________________________ Details: Hello, First of all, I would like to request that relax support NMRView peak lists. I appreciate this is not the right location to request this, but the community is still small, and I'm submitting a bug anyways. I have attached an example of this type of file (debug.xpk), and a Perl script that can extract the volume lines (xpk2list.pl). They are attached as the tarball "convert.tgz" For the meantime, I have been converting the NMRView peaklists to Sparky with a script. The actual session I/O looks like: noe.read(name,file='cNTnC_noe0_3.list',spectrum_type='ref',format='sparky') Reference spectrum. Sparky formatted data file. Opening the file 'cNTnC_noe0_3.list' for reading. Number of header lines found: 2 RelaxError: Improperly formatted Sparky file. I get the same error with a handful of .list files, generated either by my conversion scripts or from Sparky itself. Three files are attached. The one ending in '_2' was directly outputted from Sparky. _______________________________________________________ File Attachments: ------------------------------------------------------- Date: Friday 06/27/2008 at 23:10 Name: cNTnC_noe0_2.list Size: 8kB By: rydog <http://gna.org/bugs/download.php?file_id=4485> ------------------------------------------------------- Date: Friday 06/27/2008 at 23:10 Name: cNTnC_noe0_3.list Size: 157B By: rydog <http://gna.org/bugs/download.php?file_id=4486> ------------------------------------------------------- Date: Friday 06/27/2008 at 23:10 Name: cNTnC_noe0-2.list Size: 153B By: rydog <http://gna.org/bugs/download.php?file_id=4487> ------------------------------------------------------- Date: Friday 06/27/2008 at 23:10 Name: convert.tgz Size: 776B By: rydog <http://gna.org/bugs/download.php?file_id=4488> _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?11913> _______________________________________________ Message sent via/by Gna! http://gna.org/