Hi Thao,

It is not impossible but complicated. Although Topspin cannot do it, it does not mean it is impossible. I do not use TS (we have different types of instruments). And, many other signal processing software I know of cannot export deconvolution results.

1. Export the curve to an ascii file (csv is preferred but not necessary), then

2. import data into FITYK (https://fityk.nieto.pl/).

Fityk is now free for anyone to use.

Once you have imported the data, you can fit different curve types (deconvolute).

3. Select a fitting function

This software includes several deconvolution and optimization methods. You can even write your deconvolution method.

4. Set the peaks (either manually or automatically).

5. Run the fitting.

6. Save the results (functions, parameters, data points, history, session activities, etc.).

Not easy, and Fityk requires some practice before using a real data series. Sometimes it can kill itself, probably due to improper values or mathematically impossible manipulation.

The good news is that the program can be used to fit parameters on any data set and has many import options.

Good luck,

Laszlo

Hi Laszlo,

Thank you for your answer.

It is sad to hear that it is imposible to export the data directly from Topspin.

I am going to try deconvolution with another software such as Origin.

Again, thank you.

Best wishes,

Thao

You can use the POKY suite for what you intend to do (https://poky.clas.ucdenver.edu).

1. In the main window, File -> POKY Notepad...

2. File -> Poky Scripts -> Find Additional Modules from Poky Github Repository.

3. Choose and run plot_1r_with_dconpeaks_script.py

4. Select the directory you have 1r and dconpeaks.txt

5. Save as a CSV file.

Hope that helps. If that doesn't work, you can send me dconpeaks.txt file to woonghee.lee AT ucdenver.edu.

The deconvolution result is usally stored as 1D spectrum in a new "procno" (processing number, 999 by default) so it should be possible to do an export as text file (intensities of the data points) as it can be done with any other 1D spectrum. The command is "totxt" (save data of currently displayed region in a text file). However, this file does contain only the y coordinates of the data points so you have to construct the x coordinates from the spectral window borders and the number of data points...

Dear Thao,

Wolfgang is perfectly right!

Besides "Save" as text file (.txt) there also is the option to "Save" as jcamp (.dx) file.

For this flag you have to define the name, path of the file and the identifier "Type of archive File" has to be set to "JCAMP FIX". For the "Include these data types" you may want to chose RSPEC if only real datapoints are needed.

If you execute this command you will get a text file (name.dx) in the path defined.

The file will show a lengthy header (including all acquisition and processing parameters) followed by a section till the end of the file which is of (X,Y) format with X given in points (again unfortunately not ppm!) and Y does represent integer amplitudes. Again if ppm are needed you have to construct a X-axis from the carrier (O1P), spectral width (SW) and number of datapoints (SI) parameters.

Note: If only a strip (STSR or STSI not equal 0) of the spectrum was processed only the processed strip will be exported.

Good luck

Alfred