Bug report dmfit - NMR@CEMHTI UPR3079 CNRS

04/11/2025 - Gaussian Lorentzian ratio Highlight not working - dmfit#20230120

04/11/2025 00:09:13

User : mc11251@nyu.edu
Version : dmfit#20230120
Title : Gaussian Lorentzian ratio Highlight not working
I am trying to fit a curve using gaussian and Lorentzian ratio, but the "*" function does not work.

16/10/2024 - BUG: Incorrect integration data depending on zoom - dmfit#20230120

16/10/2024 08:24:37

User : jonas.kunigkeit@tu-dresden.de
Version : dmfit#20230120
Title : BUG: Incorrect integration data depending on zoom
It seems that the integration boundaries are defined by the view of the user. There are different results depending on the current x axis zoom. Maybe add optional integration boundaries in the UI, maybe allow precision zoom (option to zoom to specific x and y ranges to keep integration reproducable. Steps to reproducs: Load spectrum, fit, Run fit, Zoom into you spectrum, Fitparameter report > Integrate Model result 1 DO NOT run fit again Zoom out of your spectrum, Fitparameter report > Integrate Model result 2 result 1 != result 2 Contact me for example spectrum, where we noticed the mistake Thank you for the lasting software support. Much appreciated

07/10/2024 - ask for help - dmfit#20220502

07/10/2024 07:40:47

User : wfsong6@126.com
Version : dmfit#20220502
Title : ask for help
Imported data does not show the X-axis

06/08/2024 - Not a bug - compatibility with Windows 11? - dmfit#20111221

06/08/2024 14:48:26

User : tnp16830@gmail.com
Version : dmfit#20111221
Title : Not a bug - compatibility with Windows 11?
Please can you advise whether this particular version #20111221 is compatible with Windows 11.

19/02/2024 - quasar2020.exe - dmfit#20230120

19/02/2024 05:35:53

User : sonjong@cheme.caltech.edu
Version : dmfit#20230120
Title : quasar2020.exe
I am trying to use the quasar module for quadrupole NMR fit. Where do I get find the exe file? Thank you!

24/09/2023 - Crash while fitting - dmfit#20220502

24/09/2023 15:52:08

User : cvespek@gmail.com
Version : dmfit#20220502
Title : Crash while fitting
In MAS spectra of 27Al with 15 lines (3 are main peaks with model CSA mas and 12 lines with model ss band), when I want to adjust position and aplitude of one of the peak line in the fit (model CSA mas), application crashes. It seems like the model is instantly computed with each cursor movement. My system version is Windows 7 and it also happens in dmfit version #20230120. It doesn't happen in version #20200306.

24/09/2023 - Crash while fitting - dmfit#20220502

24/09/2023 14:51:50

19/06/2023 - Export spec, model with all lines - dmfit#20220502

19/06/2023 09:09:38

User : tianchen@whut.edu.cn
Version : dmfit#20220502
Title : Export spec, model with all lines
The exported X axis is in Hz, how can I get the X axis in ppm? The other question is that the fitted line data doesn't contain the baseline, in other words, they are not in the same horizontal line as the model line.

19/06/2023 - Export spec, model with all lines - dmfit#20220502

19/06/2023 07:53:55

24/04/2023 - Erreur lors de la lecture de RichEdit1->Lines.Strings:Erreur d'insertion de ligne RichEdit. - dmfit#20230120

24/04/2023 05:33:02

User : 251022748@qq.com
Version : dmfit#20230120
Title : Erreur lors de la lecture de RichEdit1->Lines.Strings:Erreur d'insertion de ligne RichEdit.
Erreur lors de la lecture de RichEdit1->Lines.Strings:Erreur d'insertion de ligne RichEdit.

24/02/2023 - Difference specutrum - dmfit#20230120

24/02/2023 09:22:37

User : andrew.root@luukku.com
Version : dmfit#20230120
Title : Difference specutrum
I cannot seem to display the difference spectrum. Choosing colors > difference then a colour and then updating the graphics does not show the difference. It is the same in previous versions so maybe I am just missing something. All other aspects of the fit can be changed OK (spectrum, model and stacked peaks)

06/01/2023 - Crash when opening Bruker data - dmfit#20211004_test

06/01/2023 23:38:12

User : fperras@ameslab.gov
Version : dmfit#20211004_test
Title : Crash when opening Bruker data
DMfit consistently crashes when opening NEO Bruker data. I have found that if I take the procno directory out of the expno directory that this solves this crash so it is likely that DMfit is trying and failing to read some file in the expno directory. Note, that DMfit also does not read the chemical shift scale of indirect projections from 2D experiment and that the above procedure also fixes this problem.

26/10/2022 - problem with TOP processing in windows 10 - dmfit#20220502

26/10/2022 07:47:41

User : xianyu@misasa.okayama-u.ac.jp
Version : dmfit#20220502
Title : problem with TOP processing in windows 10
After converting from 1D to 2D for TOP, it crashes when trying to select Proj all or Proj N (not equal) 0

01/06/2021 - Error Analysis - dmfit#20211004_test

01/06/2021 15:18:14

User : dominique massiot
Version : dmfit#20211004_test
Title : Error Analysis
Fatal crash randomly occuring during Error Analysis process

03/05/2017 - How to find the Area of the peak? - dmfit#20150521

03/05/2017 20:30:42

User : nanda.raju85@gmail.com
Version : dmfit#20150521
Title : How to find the Area of the peak?
I tried to find out the area of different components of a spectra. Say for example: in my case a deuterium spectra contains three component, two lorentzian component and one quadrupolar component. How I have to find out the Area of these components?

04/04/2017 - No color - dmfit#20150521

04/04/2017 08:57:36

User : eprigal@tx.technion.ac.il
Version : dmfit#20150521
Title : No color
dmfit does not show colors-spectrum etc. (all in black and white).

20/10/2016 - crash - dmfit#20111221

20/10/2016 13:33:00

User : arafatacce@gmail.com
Version : dmfit#20111221
Title : crash
Program crash when I like to do Optimization In my windows laptop.

27/04/2016 - Error Reading File - dmfit#20150521

27/04/2016 05:36:05

User : jonx_0720@yahoo.com
Version : dmfit#20150521
Title : Error Reading File
I am a new DMfit user. My problem is I can't open .asc files into DMfit. When I drag the file into the window, I just keep getting the error reading file message. I have tried exactly the same method on other computers and it works. Can somebody help me with this?

12/04/2016 - how to optimize CQ and etaQ autumatically using Dmfit? - dmfit#20150521

12/04/2016 12:16:45

User : dbackhouse1@sheffield.ac.uk
Version : dmfit#20150521
Title : how to optimize CQ and etaQ autumatically using Dmfit?
I have the same problem as that described by user 'umbingz1' on version dmfit#20111221. I have been trying to fit Qmas 1/2 to a B[3] peak, but even when I place the '*' next to the CQ and etaQ values in the model parameters box, it won't autometically refine those parameters.

11/04/2016 - how to optimize CQ and etaQ autumatically using Dmfit? - dmfit#20150521

11/04/2016 17:05:56

11/04/2016 - Incompatible values for Tools>Integrate and Model Integrate - dmfit#20150521

11/04/2016 01:43:36

User : ryanjm@stanford.edu
Version : dmfit#20150521
Title : Incompatible values for Tools>Integrate and Model Integrate
It would be really cool if the integrated peak areas for modeled peaks had the same treatment of intensity as the values reported when using Tools > Integrate

11/04/2016 - View window effects model integration. - dmfit#20150521

11/04/2016 01:39:08

User : ryanjm@stanford.edu
Version : dmfit#20150521
Title : View window effects model integration.
On the 2015x64, 2015x32, 2011x64, and 2011x32 versions I have tested this on, the size of the view port effects the integration of modeled peaks. If zoomed in too close, it seems like modeled peaks outside the model are not counted in the integration. If zoomed out too far (especially a problem for spectra with very large sweep widths) the integration no longer becomes accurate to the actual modeled peak areas.

16/03/2016 - nuQ/Cq mismatch - dmfit#20150521

16/03/2016 09:41:42

User : andreev.andrey.sergeevich@gmail.com
Version : dmfit#20150521
Title : nuQ/Cq mismatch
Using simple Czjzek fitting you can choose either quadrupolar product (nuQ) or quadrupolar constant (Cq) as a parameter. But when you switch the quadrupolar product is recalculated to Cq by multiplying nuQ by 6.66. Moreover the value is not correlated with data obtained from mqmas, i.e. when you estimate SOQE from mqmas and put it in nuQ you get a result very far from reality. Maybe be here is a problem with definition of nuQ (maybe nuQ is not quadrupolar product) since no exact equation is given on the website. Also the program crashes when you try to display all curves in simple Czjzek mode (if you have 2-3 or more lines and you put min CSA step to 5 or less).

10/03/2015 - QCC fit error estimation - dmfit#20111221

10/03/2015 21:45:05

User : xshi18@asu.edu
Version : dmfit#20111221
Title : QCC fit error estimation
I'm fitting a series of deuterium quadrupolar MAS spectra and noticed some odd results regarding error estimation. The error of etaQ and lots of my fits have error that doesn't make sense. For example, the obtained error of etaQ is 0.50 while the obtained etaQ=0.08. This is a very large error (~600%) and will make the lower bound of etaQ to a negative value, -0.42 (the definition of etaQ suppose to be 0<=etaQ<=1). Is there any documentation describing the error estimation in DMFit. I do notice that in the optimization window of DMFit, it say 'Error estimation -under development May 2009'. Does this mean that the error estimation is not functioning now? Thank you!

18/12/2014 - Negative fitting sum - dmfit#20111221

18/12/2014 10:00:18

User : karsten.seidel@basf.com
Version : dmfit#20111221
Title : Negative fitting sum
Not sure if this is my operating fault, or a software bug: The sum of a fit yields a negativ value, but from visual inspection, the shapes don't add up to such a negative value. Also,

05/11/2014 - Dmfit does not open bruker/varian fid files - dmfit#20111221

05/11/2014 03:13:19

User : nballjon@ucdavis.edu
Version : dmfit#20111221
Title : Dmfit does not open bruker/varian fid files
I'm running dmfit on an OSX mac using wine. The program seems to work fine- I'm able to download and manipulate samples provided (YAG_for_TOP.fxmla) but cannot open any of my own bruker or varian files (fid). The program displays the message "a filename cannot contain any of the following characters: /:<>|". However, the files do not have any of those characters.

16/10/2014 - how to optimize CQ and etaQ autumatically using Dmfit? - dmfit#20111221

16/10/2014 14:25:34

User : umbingz1@hotmail.com
Version : dmfit#20111221
Title : how to optimize CQ and etaQ autumatically using Dmfit?
Hi there, I failed to autumatically optimize the QI parameters of CQ and etaQ except Amplitude and Postions, although I tried to add star at the right box of CQ and etaQ on "New Model Parameter full list" panel as User Guide suggested. It only can optimze the parameters of Amplitude and Position (in bold font) autumatically no matter for static or MAS spectra. So could you please help me by instructing me how to make Dmfit to simulate CQ and etaQ autumatically as it does to the parameters of Amplitude and Position? Many thanks! Bing

21/08/2014 - BHC - dmfit#20111221

21/08/2014 23:13:32

User : chen@chem.fsu.edu
Version : dmfit#20111221
Title : BHC
program crash when i do the optimization

04/12/2013 - Czjzek fitting - dmfit#20111221

04/12/2013 16:54:40

User : s.p.day@warwick.ac.uk
Version : dmfit#20111221
Title : Czjzek fitting
Attempting to place an initial lineshape (Czjzek all) to optimise crashes the program.

06/06/2013 - Compatibility - dmfit#20111221

06/06/2013 16:48:23

User : castets.aurore@gmail.com
Version : dmfit#20111221
Title : Compatibility
The program does not want to open any file with Windows 8...

23/04/2013 - program crashes - dmfit#20111221

23/04/2013 14:27:19

User : annifrid.asztalos@chemie.tu-freiberg.de
Version : dmfit#20111221
Title : program crashes
The program crashes, if I click "new fit" or "Gr par" (I work with Windows 7).

04/04/2013 - The program crashes - dmfit#20111221

04/04/2013 13:11:33

User : or.szekely@weizmann.ac.il
Version : dmfit#20111221
Title : The program crashes
whenever I hit the button to "call the fit parameter dialog box", or the button to "optimize the model to the experimental spectrum", the program crashes. Please help...

01/12/2012 - Th program is not working properly - dmfit#20111221

01/12/2012 17:25:25

User : thirumatsci@gmail.com
Version : dmfit#20111221
Title : Th program is not working properly
Crashes whenever "new fit" is started. Could you please give me a solution to rectify it?

02/10/2012 - Quasar module is reported missing - dmfit#20111221

02/10/2012 22:49:14

User : igor.moudrakovski@nrc-cnrc.gc.ca
Version : dmfit#20111221
Title : Quasar module is reported missing
Whenever I attempt to call QUASAR, an error message pops up "Windows cannot find 'C:Program...\dmfit\newquasar.exe' Make sure you typed the name correctly, and then try again'. Was QUASAR removed from the distribution?

17/01/2012 - the program still not works properly, I tried lots of different versions.... - dmfit#20111221

17/01/2012 15:30:55

User : daniel.rentsch@empa.ch
Version : dmfit#20111221
Title : the program still not works properly, I tried lots of different versions....
-crash whenever "new fit" is started or when starting from an old fit new data is loaded Solution: I installed a Windows XP emulation program from http://www.microsoft.com/windows/virtual-pc/download.aspx Although this is not a good solution, all versions of dmfit work now!

14/11/2011 - function - dmfit#20110512

14/11/2011 10:24:27

User : marimarmarieta@yahoo.com
Version : dmfit#20110512
Title : function
the program not function for windows 7

26/09/2011 - program crashes 2 - dmfit#20110512

26/09/2011 14:17:32

User : gwenn.lesaout@empa.ch
Version : dmfit#20110512
Title : program crashes 2
- works well under Windows 7 till July (Windows update?)then crash every time on several PC when we start a new fit (as with Thomas) - version dm2010vs/release 20100301b works well!

07/07/2011 - program crashes - dmfit#20110512

07/07/2011 19:50:19

User : thomas.heydenreich@gmx.de
Version : dmfit#20110512
Title : program crashes
Hello, I run the program with Windows 7. Every time I want to start a "New fit" the program crashes. I would really like to use it, but it just won't work on my notebook.

21/07/2011 - Losing FitParameter when transposing auto-correlation spectrum - dmfit#20110512

21/07/2011 16:35:04

User : dominique massiot
Version : dmfit#20110512
Title : Losing FitParameter when transposing auto-correlation spectrum
The Fitparameters disappear when transposing a 2D auto-correlation spectrum.

27/06/2011 - Miss-reporting of negative values of Gauss/Lorentz ratio after optimizing - dmfit#20110512

27/06/2011 09:01:51

User : matthew.lay@csiro.au
Version : dmfit#20110512
Title : Miss-reporting of negative values of Gauss/Lorentz ratio after optimizing
When an negative value for the Gauss/Lorentz ratio is obtained after optimisation the parameters reported at the bottom of the screen and the parameter report shows 0.00. But the line of best fit still represents the solution for a negative value for x. (I know this because if the value of x is fixed at 0.00 and replot the curve looks different.)

13/05/2011 - x64 Version crashes while opening 1.R file in Win 7 - dmfit#20110512

13/05/2011 15:13:03

User : michael.fechtelkord@ruhr-uni-bochum.de
Version : dmfit#20110512
Title : x64 Version crashes while opening 1.R file in Win 7
The program crashes during opening of older Bruker Winfit examples like PPNA2S or GLYCINCP in Windows 7 Enterprise Edition x64 SP1

12/05/2011 - CSA guess not working in x64 version - dmfit#20110209

12/05/2011 12:58:22

User : dominique massiot
Version : dmfit#20110209
Title : CSA guess not working in x64 version
The guess of CSA parameters from spinning sideband intensities in the "fit parameters" dialog box is not working in the 64 bits version

03/05/2011 - No update of CQ in disperse models - dmfit#20110209

03/05/2011 16:19:34

User : dominique massiot
Version : dmfit#20110209
Title : No update of CQ in disperse models
No update of the nuQ/CQ field in the disperse based models

20/04/2011 - Heteronuclear correlation example - dmfit#20110209

20/04/2011 12:52:38

User : dominique massiot
Version : dmfit#20110209
Title : Heteronuclear correlation example
The example for heteronuclear correlation is not computing properly