First method using two files: Converting Bruker TopSpin2.1 FID file into JCAMP-DX file and vice versa




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*** Outline of the first method using two files ***


(A) Generation of JCAMP-DX file from topSpin2.1 operating system

  • Consider the 29Si echo train file of nanomacs, already modified by convdta command:

  • File > Save; check "Save data set in a JCAMP-DX file"

  • Click OK button

  • Save the file on the DeskTop of Windows by filling the specify destination form:

  • A file called 29Si-nanom-4BL.dx appears on the DeskTop of Windows.

  • Make a copy of this file called copy-29Si-nanom-4BL.dx.

  • These two files are text files containing NMR parameters and the intensities of the echotrain. The real part of this echotrain followed by the imaginary part are two ASCII series in a single column. The left-hand side of this column contains increasing integer numbers indicating the positions of the intensities. The right-hand side of this column contains the intensities of the echotrain.

(B) Modification of JCAMP-DX file

  • We use MS EXCEL to select the right-hand side of the column containing the intensities of the echotrain. To this end, we apply to the 29Si-nanom-4BL.dx file the procedure for converting two-series ASCII file into two-column MS Excel spread sheet document.

  • **************************************************

  • Now, we select the real part and the imaginary part of the echotrain and paste them to Java applet for denoising.

  • After the echotrain denoising, we replace the real part and the imaginary part of the echotrain in 29Si-nanom-4BL.dx file by the denoised values which are real numbers.

  • We change the format of these cells so that the intensities of the echotrain become integer numbers.

  • The intensities of the echotrain are integer numbers.

  • **************************************************

  • We again use MS EXCEL to save the file as an ASCII file. To this end, we close the window of the 29Si-nanom-4BL.dx file

  • Click YES button

  • Click YES button

  • Open 29Si-nanom-4BL.dx file as a text file

    Intensiy position and intensity value are separated by a tabulation character.

  • We select the real part and the imaginary part of the echotrain in the 29Si-nanom-4BL.dx file and paste them in the copy-29Si-nanom-4BL.dx file. We have a denoised copy-29Si-nanom-4BL.dx file, where intensiy position and intensity value are separated by a tabulation character.

(C) Introduction of JCAMP-DX file into topSpin2.1 operating system

  • In TopSpin2.1, File > Open

  • Check "Open NMR data stored in special formats"

  • Click OK button

  • Click Browse button. Select copy-29Si-nanom-4BL.dx from the DeskTop of Windows then click Convert from JDX button

  • Click OK button

  • Denoised copy-29Si-nanom-4BL file is ready for processing in TopSpin2.1

 
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