Re: Relaxation curve fitting

2014-03-04 Thread mengjun . xue
Hi Edward, Thank you for your suggestions. I have tried to open qtgrace first and then open the intensities file, but I can not seen any curve in qtgrace. I have submitted the bug report. Regards, Mengjun Citat af Edward d'Auvergne edw...@nmr-relax.com: Hi Mengjun, This looks like

Re: Relaxation curve fitting

2014-03-03 Thread Troels Emtekær Linnet
Dear Mengjun. For xmgrace installation, follow this: http://wiki.nmr-relax.com/Installation_windows_Python_x86-32_Visual_Studio_Express_for_Windows_Desktop#xmgrace_-_for_the_plotting_results_of_NMR-relax In short. 1 ) Download and install 2) Copy qtgrace.exe to xmgrace.exe in same folder 3) Add

Re: Relaxation curve fitting

2014-03-03 Thread Troels Emtekær Linnet
Dear Mengjun. Let me extend the previous explanation. Use the GUI to load results.bz2 file. Then use the User function: Value write, to write a text file with the desired results. These are just flat text files as: rx.out and can include intensities instead, of normalized intensities. Use these

Re: relaxation curve fitting

2012-07-02 Thread Edward d'Auvergne
been trying to use the curve fitting routine for R1 and R2 in relax using the sample script relax_fit.py. I managed to read in the spectra and obtain a value for the uncertainty. However, once it gets to the point of performing a grid_search that's where it fails (see below

Re: relaxation curve fitting

2012-06-30 Thread Edward d'Auvergne
. Anyway, I hope some of this info helps. Regards, Edward On 30 June 2012 18:01, Romel Bobby rbob...@aucklanduni.ac.nz wrote: Dear all, I've been trying to use the curve fitting routine for R1 and R2 in relax using the sample script relax_fit.py. I managed to read in the spectra and obtain

Re: Curve fitting

2008-10-19 Thread Chris MacRaild
PROTECTED] wrote: Hi, I have a general question about curve fitting within relax. Let's say I proceed to curve fitting for some relaxation rates (exponential decay) and that I have a duplicate delay for error estimation. delays 0.01 0.01 0.02 0.04 ... Will the mean

Re: Curve fitting

2008-10-17 Thread Edward d'Auvergne
question about curve fitting within relax. Let's say I proceed to curve fitting for some relaxation rates (exponential decay) and that I have a duplicate delay for error estimation. delays 0.01 0.01 0.02 0.04 ... Will the mean value (for delay 0.01) be used for curve

Re: Curve fitting

2008-10-17 Thread Sébastien Morin
at 7:02 AM, Chris MacRaild [EMAIL PROTECTED] wrote: On Thu, Oct 16, 2008 at 3:11 PM, Sébastien Morin [EMAIL PROTECTED] wrote: Hi, I have a general question about curve fitting within relax. Let's say I proceed to curve fitting for some relaxation rates (exponential decay

Curve fitting

2008-10-15 Thread Sébastien Morin
Hi, I have a general question about curve fitting within relax. Let's say I proceed to curve fitting for some relaxation rates (exponential decay) and that I have a duplicate delay for error estimation. delays 0.01 0.01 0.02 0.04 ... Will the mean value (for delay 0.01

Re: Curve fitting

2008-10-15 Thread Chris MacRaild
On Thu, Oct 16, 2008 at 3:11 PM, Sébastien Morin [EMAIL PROTECTED] wrote: Hi, I have a general question about curve fitting within relax. Let's say I proceed to curve fitting for some relaxation rates (exponential decay) and that I have a duplicate delay for error estimation

One set data for curve-fitting!

2008-09-10 Thread Xia,Wei
Hello, I have tried to use the relax standard script to do curve-fitting for T1. However I just got one set of relaxation data(/i.e./ 5ms X 1, 120ms X 1, 240ms X1 ..), is it possible to use the script to fit the data? Could anybody give me some suggestion how to do it? Thanks