| | Date | Status | Version | Title | Owner | Comment |
| 16/10/2024 | Submitted | dmfit#20230120 |
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
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jonas.kunigkeit
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| 07/10/2024 | Submitted | dmfit#20220502 |
ask for help
Imported data does not show the X-axis
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wfsong6
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| 06/08/2024 | Submitted | dmfit#20111221 |
Not a bug - compatibility with Windows 11?
Please can you advise whether this particular version #20111221 is compatible with Windows 11.
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tnp16830
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| 19/02/2024 | Submitted | dmfit#20230120 |
quasar2020.exe
I am trying to use the quasar module for quadrupole NMR fit. Where do I get find the exe file? Thank you!
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sonjong
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| 24/09/2023 | Submitted | dmfit#20220502 |
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.
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cvespek
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| 24/09/2023 | Submitted | dmfit#20220502 |
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.
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cvespek
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| 19/06/2023 | Submitted | dmfit#20220502 |
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.
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tianchen
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| 19/06/2023 | Submitted | dmfit#20220502 |
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.
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tianchen
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| 24/04/2023 | Submitted | dmfit#20230120 |
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.
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251022748
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| 24/02/2023 | Submitted | dmfit#20230120 |
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)
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andrew.root
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| 06/01/2023 | Submitted | dmfit#20211004_test |
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.
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fperras
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| 26/10/2022 | Submitted | dmfit#20220502 |
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
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xianyu
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| 01/06/2021 | Submitted | dmfit#20211004_test |
Error Analysis
Fatal crash randomly occuring during Error Analysis process
|
dominique massiot
|
solved in version 2022 04 04
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| 03/05/2017 | Submitted | dmfit#20150521 |
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?
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nanda.raju85
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| 04/04/2017 | Submitted | dmfit#20150521 |
No color
dmfit does not show colors-spectrum etc. (all in black and white).
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eprigal
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| 20/10/2016 | Submitted | dmfit#20111221 |
crash
Program crash when I like to do Optimization In my windows laptop.
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arafatacce
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| 27/04/2016 | Submitted | dmfit#20150521 |
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?
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jonx_0720
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| 12/04/2016 | Submitted | dmfit#20150521 |
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.
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dbackhouse1
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| 11/04/2016 | Submitted | dmfit#20150521 |
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.
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dbackhouse1
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| 11/04/2016 | Submitted | dmfit#20150521 |
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
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ryanjm
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| 11/04/2016 | Submitted | dmfit#20150521 |
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.
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ryanjm
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| 16/03/2016 | Submitted | dmfit#20150521 |
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).
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andreev.andrey.sergeevich
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| 10/03/2015 | Submitted | dmfit#20111221 |
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!
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xshi18
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| 18/12/2014 | Submitted | dmfit#20111221 |
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,
|
karsten.seidel
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| 05/11/2014 | Submitted | dmfit#20111221 |
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.
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nballjon
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| 16/10/2014 | Submitted | dmfit#20111221 |
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
|
umbingz1
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| 21/08/2014 | Submitted | dmfit#20111221 |
BHC
program crash when i do the optimization
|
chen
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| 04/12/2013 | Submitted | dmfit#20111221 |
Czjzek fitting
Attempting to place an initial lineshape (Czjzek all) to optimise crashes the program.
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s.p.day
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| 06/06/2013 | Submitted | dmfit#20111221 |
Compatibility
The program does not want to open any file with Windows 8...
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castets.aurore
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| 23/04/2013 | Submitted | dmfit#20111221 |
program crashes
The program crashes, if I click "new fit" or "Gr par" (I work with Windows 7).
|
annifrid.asztalos
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| 04/04/2013 | Submitted | dmfit#20111221 |
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...
|
or.szekely
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| 01/12/2012 | Submitted | dmfit#20111221 |
Th program is not working properly
Crashes whenever "new fit" is started. Could you please give me a solution to rectify it?
|
thirumatsci
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|
| 02/10/2012 | Submitted | dmfit#20111221 |
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?
|
igor.moudrakovski
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| 17/01/2012 | Submitted | dmfit#20111221 |
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!
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daniel.rentsch
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| 14/11/2011 | Submitted | dmfit#20110512 |
function
the program not function for windows 7
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marimarmarieta
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| 26/09/2011 | Submitted | dmfit#20110512 |
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!
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gwenn.lesaout
|
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| 21/07/2011 | Submitted | dmfit#20110512 |
Losing FitParameter when transposing auto-correlation spectrum
The Fitparameters disappear when transposing a 2D auto-correlation spectrum.
|
dominique massiot
|
Solved since #20110722 version
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| 07/07/2011 | Submitted | dmfit#20110512 |
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.
|
thomas.heydenreich
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not solved…
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| 27/06/2011 | Submitted | dmfit#20110512 |
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.)
|
matthew.lay
|
under examination…
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| 13/05/2011 | Submitted | dmfit#20110512 |
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
|
michael.fechtelkord
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This is true as the 64bits version cannot read older binary coded datafiles : - *.f01 parameters
- Bruker binary coded parameters datafiles of pre 'J-Camp DX' versions etc…
Future versions will issue a warning at least…
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| 12/05/2011 | Submitted | dmfit#20110209 |
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
|
dominique massiot
|
Solved since #20110512 version.
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| 03/05/2011 | Submitted | dmfit#20110209 |
No update of CQ in disperse models
No update of the nuQ/CQ field in the disperse based models
|
dominique massiot
|
Solved since #20110512 version.
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| 20/04/2011 | Submitted | dmfit#20110209 |
Heteronuclear correlation example
The example for heteronuclear correlation is not computing properly
|
dominique massiot
|
Solved 2011/05/12
|