Export of Peak list

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kai

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Nov 26, 2012, 11:00:48 AM11/26/12
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Dear Staff for Mass++,

I already solved this question, but I will post the question to share with other users.

I am very happy to know now FWHM is available for updated Mass++.
I am wondering how to export peak list with FWHM value to txt format.

This would be quite useful. 
Thank you for your kind support!

all the best,
Kie

satstnka

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Nov 26, 2012, 11:15:11 PM11/26/12
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Dear Kie,

 Thank you for using Mass++ and posting your question.
I'm Satoshi Tanaka, one of the software developers of Mass++ at
Shimadzu Corporation.

 If you want to export peak list including FWHM (Full Width at Half Maximum),
Please go through the following steps:

   1. Open a spectrum.
   2. Detect peaks. ([Processing] > [Peaks] > [Detect Peaks])
   3. Ensure [View] > [Pane] > [Peak List] is checked.
   4. Right-click on the peak list pane and select [Save].
   5. Input save file path on the Save dialog and click OK button.

  Peak list of only one spectrum can be export with the above way.
If you want to export peak lists from multiple spectra, this operation is time-consuming.
 Mass++ cannot export such a peak list directly.
However Mass++ has a functionality for scripting.
You can realize such a method with writing and executing a script.

 A sample script is attached to this message.
You can export peak lists including FWHM from multiple spectra with
the following steps.

  1. Open a spectrum.
  2. Detect peaks. ([Processing] > [Peaks] > [Detect Peaks].
      If you want to detect peaks of multiple spectra, set the target on
      the Detect Peaks dialog.)
  3. Select [Tools] > [Script Console]
  4. Click [Load] button and select attached file on the Select File dialog.
  5. Click [Run] button on the Script Console dialog.
      The Save File Dialog appears.
  6. Set the file path to export peak list and click OK button.

To execute this script, IronPython have to be installed
your PC.

 Please get it from the following URL:
   
   http://ironpython.codeplex.com/

regards,

--
Satoshi Tanaka
     
 
2012年11月27日火曜日 1時00分49秒 UTC+9 kai:
export_peak.py
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