That's good news! I'll try to work out what that volume bug is though. If you could submit a bug report for that, it would be much appreciated.
Cheers, Edward On 10 January 2011 11:59, Maddy Strickland <[email protected]> wrote: > Hi Edward, > > They have now changed it to peak heights, I have checked by exporting some > data. All you need to do is update by clicking 'project>updates' and it's > now sorted out - to check it's updated correctly, when you export a Sparky > peak list it should say height instead of intensity. Glad that's sorted > out! Won't take too long to convert now... > > Maddy > > > On Mon, January 10, 2011 10:52 am, Edward d'Auvergne wrote: >> Oh, if it is volumes, then that would be a problem. Hopefully it is >> easy for them to sort out at their end, and also easy for you to >> convert your old data to heights. >> >> Regards, >> >> Edward >> >> >> On 10 January 2011 11:50, Maddy Strickland <[email protected]> >> wrote: >>> Hi Edward, >>> >>> I have sent an email to them, so it should get sorted out. I checked >>> the >>> numbers exported against the peak lists within the program, where it >>> shows >>> both height and volume and it looks like it is exporting volume >>> unfortunately. >>> >>> ---------------------------- Original Message >>> ---------------------------- >>> Subject: Re: [Fwd: Re: [bug #17341] Compatibility with CCPN Analysis2.1 >>> (fwd)] >>> From: "Edward d'Auvergne" <[email protected]> >>> Date: Mon, January 10, 2011 9:51 am >>> To: "Maddy Strickland" <[email protected]> >>> Cc: [email protected] >>> -------------------------------------------------------------------------- >>> >>> Hi, >>> >>> I would guess that this problem is not so bad as it seems. It is >>> probably a superficial bug in the conversion to Sparky format, but >>> that it actually contains the peak heights from Analysis rather than >>> the volumes as it indicates. This will have to be clarified with the >>> CCPN people though. >>> >>> Regards, >>> >>> Edward >>> >>> >>> >>> On 6 January 2011 11:28, Maddy Strickland <[email protected]> >>> wrote: >>>> Hi Jo, >>>> >>>> Thanks for that, you're right is it exporting the volume rather than >>>> the >>>> peak height. I definitely will email them as this error has undone >>>> about >>>> a year's worth of work for me! I suppose it will be quicker the second >>>> time round though. Looking forwards to recalculating T1, T2, NOE and >>>> Lipari-Szabo for 4 proteins at 2 fields! >>>> >>>> Maddy >>>> >>>> ---------------------------- Original Message >>>> ---------------------------- >>>> Subject: Re: [bug #17341] Compatibility with CCPN Analysis2.1 (fwd) >>>> From: "Jolyon Claridge" <[email protected]> >>>> Date: Wed, January 5, 2011 5:34 pm >>>> To: "Edward d'Auvergne" <[email protected]> >>>> Cc: "M Strickland, Science 04" <[email protected]> >>>> "[email protected]" <[email protected]> >>>> -------------------------------------------------------------------------- >>>> >>>> Hi, >>>> >>>> It would appear that the Format Converter in Analysis is exporting the >>>> peak volume rather than the height and I think you are using box sum >>>> integration, hence the bx. This is a bug in the Format Converter as >>>> Analysis is able to measure both height and volume. Can you send it in >>>> to the CCPNMR mailing list as a bug? As an aside, is it really >>>> necessary >>>> to convert the files to sparky format at all? I usually just use the >>>> 'export' function directly from the peaklist editing window in Analysis >>>> and then create a text file which relax will be able to handle without >>>> any further trouble. >>>> >>>> Regards, >>>> Jo >>>> >>>> Edward d'Auvergne wrote: >>>>> Hi, >>>>> >>>>> It shouldn't be a problem at all. I have no idea what the bx means >>>>> then either, it's strange that they put that there. I hope it really >>>>> is a hight integration that it's doing :S Well, if you have all >>>>> spectra duplicated, then you will be able to have an error estimate >>>>> per spectrum. For a sanity check, this should be similar to the value >>>>> of the RMSD of the baseplane noise in each spectra. >>>>> >>>>> Regards, >>>>> >>>>> Edward >>>>> >>>>> >>>>> On 20 December 2010 14:47, M Strickland, Science 04 >>>>> <[email protected]> wrote: >>>>> >>>>>> I don't know what the bx means, I've been removing it in my final >>>>>> files. >>>>>> Analysis just gives the option between height and intensity and I >>>>>> pick >>>>>> height. Unfortunately, I don't know how they measure it, but I >>>>>> generally >>>>>> get duplicate spectra for all my results, and at two field strengths, >>>> so it >>>>>> shouldn't be an issue for my calculations? >>>>>> >>>>>> ---------- Forwarded Message ---------- >>>>>> Date: 17 December 2010 20:33 +0100 >>>>>> From: Edward d'Auvergne <[email protected]> >>>>>> To: >>>>>> Cc: [email protected], [email protected] >>>>>> Subject: Re: [bug #17341] Compatibility with CCPN Analysis2.1 >>>>>> >>>>>> Hi Maddy, >>>>>> >>>>>> I'm in the process of adding this data to the relax test suite, and >>>>>> noticed that the integrated values have 'bx' after it. Would you >>>>>> know >>>>>> what that is? Are you using box integration, or measuring peak >>>>>> heights? Can CCPN Analysis measure peak heights? If you are using >>>>>> box integration without duplicate spectra, this significantly >>>>>> complicates the analysis as you will need to know the exact number of >>>>>> points used in each box. Peak heights are a much better way of >>>>>> determining the peak intensities as one advantage is that the errors >>>>>> are much easier to ascertain. >>>>>> >>>>>> Regards, >>>>>> >>>>>> Edward >>>>>> >>>>>> >>>>>> >>>>>> On 17 December 2010 16:48, anonymous >>>>>> <[email protected]> >>>>>> wrote: >>>>>> >>>>>>> URL: >>>>>>> <http://gna.org/bugs/?17341> >>>>>>> >>>>>>> Summary: Compatibility with CCPN Analysis2.1 >>>>>>> Project: relax >>>>>>> Submitted by: None >>>>>>> Submitted on: Fri 17 Dec 2010 03:48:15 PM UTC >>>>>>> Category: relax's source code >>>>>>> Severity: 2 - Minor >>>>>>> Priority: 5 - Normal >>>>>>> Status: None >>>>>>> Privacy: Public >>>>>>> Assigned to: None >>>>>>> Originator Name: Madeleine Strickland >>>>>>> Originator Email: [email protected] >>>>>>> Open/Closed: Open >>>>>>> Discussion Lock: Any >>>>>>> Release: 1.3.5 >>>>>>> Operating System: GNU/Linux >>>>>>> >>>>>>> _______________________________________________________ >>>>>>> >>>>>>> Details: >>>>>>> >>>>>>> When using FormatConverter (with CCPN Analysis2.1) you can output >>>> 'Sparky' >>>>>>> format peak lists for use with curve fitting in Relax. These have a >>>>>>> different format to those expected by Relax1.3.5. Differences are: >>>>>>> >>>>>>> Relax: Two header lines, Analysis: One header line >>>>>>> Relax: V1504N-HN, Analysis: V1504N-V1504HN >>>>>>> Relax: Peaks in order, Analysis: Random order of peaks >>>>>>> >>>>>>> Attached: R1.py script, lists for two residues, log file of output >>>>>>> from >>>>>>> Relax, sequence >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> _______________________________________________________ >>>>>>> >>>>>>> File Attachments: >>>>>>> >>>>>>> >>>>>>> ------------------------------------------------------- >>>>>>> Date: Fri 17 Dec 2010 03:48:15 PM UTC Name: log.txt Size: 24kB >>>>>>> By: >>>>>>> None >>>>>>> >>>>>>> <http://gna.org/bugs/download.php?file_id=11610> >>>>>>> ------------------------------------------------------- >>>>>>> Date: Fri 17 Dec 2010 03:48:15 PM UTC Name: peak_lists.tar.gz >>>>>>> Size: >>>> 645B >>>>>>> By: None >>>>>>> >>>>>>> <http://gna.org/bugs/download.php?file_id=11611> >>>>>>> ------------------------------------------------------- >>>>>>> Date: Fri 17 Dec 2010 03:48:15 PM UTC Name: R1A.py Size: 4kB By: >>> None >>>>>>> >>>>>>> <http://gna.org/bugs/download.php?file_id=11612> >>>>>>> ------------------------------------------------------- >>>>>>> Date: Fri 17 Dec 2010 03:48:15 PM UTC Name: sequence.out Size: 44B >>>> By: >>>>>>> None >>>>>>> >>>>>>> <http://gna.org/bugs/download.php?file_id=11613> >>>>>>> >>>>>>> _______________________________________________________ >>>>>>> >>>>>>> Reply to this item at: >>>>>>> >>>>>>> <http://gna.org/bugs/?17341> >>>>>>> >>>>>>> _______________________________________________ >>>>>>> Message sent via/by Gna! >>>>>>> http://gna.org/ >>>>>>> >>>>>>> >>>>>>> _______________________________________________ >>>>>>> relax (http://nmr-relax.com) >>>>>>> >>>>>>> This is the relax-devel mailing list >>>>>>> [email protected] >>>>>>> >>>>>>> To unsubscribe from this list, get a password >>>>>>> reminder, or change your subscription options, >>>>>>> visit the list information page at >>>>>>> https://mail.gna.org/listinfo/relax-devel >>>>>>> >>>>>>> >>>>>> ---------- End Forwarded Message ---------- >>>>>> >>>>>> >>>>>> >>>>>> ---------------------- >>>>>> M Strickland, Science 04 >>>>>> [email protected] >>>>>> >>>>>> _______________________________________________ >>>>>> relax (http://nmr-relax.com) >>>>>> >>>>>> This is the relax-users mailing list >>>>>> [email protected] >>>>>> >>>>>> To unsubscribe from this list, get a password >>>>>> reminder, or change your subscription options, >>>>>> visit the list information page at >>>>>> https://mail.gna.org/listinfo/relax-users >>>>>> >>>>>> >>>>> >>>>> _______________________________________________ >>>>> relax (http://nmr-relax.com) >>>>> >>>>> This is the relax-users mailing list >>>>> [email protected] >>>>> >>>>> To unsubscribe from this list, get a password >>>>> reminder, or change your subscription options, >>>>> visit the list information page at >>>>> https://mail.gna.org/listinfo/relax-users >>>>> >>>> >>>> >>>> -- >>>> Dr. Jolyon Claridge >>>> Research Associate >>>> Laboratory of Molecular Biophysics [email protected] >>>> University of Oxford Tel: ++44 (0)1865 613200 >>>> Oxford, U.K., OX1 3QU >>>> >>>> >>>> >>>> Madeleine Strickland >>>> >>>> MCJC Group >>>> N317, School of Chemistry, Bristol University >>>> >>>> >>>> _______________________________________________ >>>> relax (http://nmr-relax.com) >>>> >>>> This is the relax-users mailing list >>>> [email protected] >>>> >>>> To unsubscribe from this list, get a password >>>> reminder, or change your subscription options, >>>> visit the list information page at >>>> https://mail.gna.org/listinfo/relax-users >>>> >>> >>> >>> Madeleine Strickland >>> >>> MCJC Group >>> N317, School of Chemistry, Bristol University >>> >>> >> > > > Madeleine Strickland > > MCJC Group > N317, School of Chemistry, Bristol University > > _______________________________________________ relax (http://nmr-relax.com) This is the relax-users mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users
