DISNMR-Format

ID DISNMR data files are simply stored as NAME.nnn , with nnn being the experiment number (001 - 999). 2D DISNMR data files are stored as NAME .SER. No further file structure is recognized. 

In principle there is no label, if not set by the user, to identify the given DISNMR file as an FID or spectrum, or if the NMR data is from a H or C experiment. However the Bruker automation software, primarily developed to connect older type spectrometers (AC, AM) to a sample changer, allows the user to structure the name in such a way that it carries additional information with respect to the type of experiment. The user is referred to the corresponding automation manual available from Bruker and to the name conventions set by the key NMR operator at your site. 

Select the directories D NMRDATA FORMAT DISNMR 1D H, D NMRDATA FORMAT DISNMR 2D HH and D NMRDATA FORMAT DISNMR 2D CH and inspect the structures of the NMR data files using the WINDOWS file manager (WINDOWS Explorer). 

Start the 1D WIN-NMR program by clicking on the corresponding icon. From the File pull-down menu choose the Open option and select in the dialog box the directory D NMRDATA FORMAT DISNMR 1D H. Check the DIS (in red) symbol in front of the filename in the selected subdirectory. Do not click on this file in this moment, but use the Cancel key to leave this dialog box. Make sure that the DISNMR file type is crossed. 

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Data in either format must first be converted into a form that WIN-NMR understands before any processing steps may be performed with either ID WIN-NMR or 2D WIN-NMR. ID WIN-NMR and GETFILE include tools for converting both data formats into this WINNMR format. 2D WIN-NMR converts 2D data files in the UXNMR/ XWINNMR format - but not in the DISNMR format - automatically (see section 2.7.2). 

For any ID or 2D DISNMR format file stored on a remote computer the transfer via NFS, its conversion to WINNMR format and its storage on the hard disk of your PC may be achieved in a number of ways. Files may be converted automatically with the minimum of user participation or in a stepwise interactive manner. The transfer and conversion procedures are different for 1D and 2D data files. 

In the subsequent Check its the transfer and conversion of ID and 2D NMR data files in the DISNMR format is demonstrated. The converted data files will be stored and will be at your disposal for later processing in chapter 5. 

Again assume that your CD-ROM disk E is a NFS mounted remote disk. Start the 1D WIN-NMR program and from the File pull-down menu choose the Open option to read in a 1D NMR data file in the DISNMR format. The Open File dialog box appears on the screen. Select the CD-ROM directory E NMRDATA FORMAT DISNMR 1D H, mark the DISNMR file DIS HDIS.001 by clicking on it and start the data conversion process by clicking the OK... 

The corresponding 2D data file in the WINNMR format has been stored as D NMRDATA FORMAT DISNMR 2D HH HHDIS 001001.SER. Check this with 2D WIN-NMR or with your WINDOWS file manager (WINDOWS Explorer). To start this file manager from within 2D WIN-NMR select File Manager in the File pull-down menu. The original DISNMR format 2D file, stored in the D NMRDATA FORMAT DISNMR 2D HH directory is not visible from within 2D WIN-NMR. 

Load the H FID of peracetylated glucose C DEM01D DAT ASP3000 HDIS 001001. FID originally acquired in the DISNMR format and process it to obtain the best spectral quality. 

In principle any NMR data file may be transferred and stored on your PC hard disk in its original format (UXNMR/XWINNMR, DISNMR). Alternatively the NMR data file may have already been converted into the WINNMR format on the remote computer before being copied to your PC. The most usual way, however, i.s to import the file in it.s original format and to convert it into the WINNMR format prior to using ID WIN-NMR or 2D WIN-NMR. 

E NMRDATA FORMAT DISNMR 2D CH CHDIS. Again hit the Cancel button... 

This button works in the same way as the Proc, Para... button and allows the selection of the plot parameters to be included in the plot. These parameters are stored in a. PLT file and is the file referred to when the spectral comparison mode is selected in the Plot Limits group box using the File Comp. X and File Comp. Y check boxes. Allows you to select all the parameters stored in a. DIS file. This file is created during the conversion of Aspect 3000 files (DISNMR and DISMSL files) into the WIN-NMR format. 

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