WINNMR Format

ID WIN-NMR and 2D WIN-NMR use the WIN-NMR data format. With the exception of the NMR data stored in the directory D NMRDATA FORMAT, all other NMR data stored in the directories D NMRDATA GLUCOSE and D NMRDATA OLIGOSAC supplied on CD-ROM is in the WINNMR format. 

When NMR data is converted into the WINNMR format it is converted into a number of files stored in a directory called NAME . For ID- and 2D WIN-NMR, the directory NAME has the following structure  

E and P denote the experimental and the processing number of the data file respectively. For a given sample the raw data of up to 999 different experiments may be stored under the same data file name. The data of each for these experiments can be processed in several ways and up to 999 different results may be stored separately together with the corresponding processing parameters. The meaning of the various file name extensions is shown below  

Acquisition Parameters Processing Parameters Raw Data File Processed Data - Real Processed Data - Imaginary 

IR and. RI are only present if the spectrum and the corresponding experiment is phase sensitive (see section 3.4). Additional files such as. PLT,. T1T,. TI2 etc. may appear with your NMR data and contain additional information concerning the plotiing parameters, the spectrum title etc. 

---

The GETFILE software is used in this volume to demonstrate its capabilities for converting various spectrometer specific data formats into the WINNMR format. It has been developed for data conversion and easy data transfer and must be installed if you wish to... 

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). 

Conversion into the WINNMR format may be done for original data files stored on... 

Start GETFILE and inspect the various dialog boxes available in the File pulldown menu for conversion of NMR data formats of other manufacturers into the WINNMR format. 

Various protocols are available for importing data from a remote computer to your PC. The simplest and most elegant way to perform this task is to use cither NFS (Network File Server) or FTP (File Transfer Protocol). An example of how NFS and FTP may be used within a local network, including the conversion of the corresponding data format into the WINNMR format, is outlined in section 2.7.2. 

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. 

For any UXNMR/XWINNMR format ID or 2D NMR file stored on a remote computer the transfer via NFS, its conversion into the WINNMR format and its storage on the hard disk of your PC may be performed in either an automatic or interactive stepwise manner... 

For automatic data transfer and data conversion choose the Open option from the File pull-down menu in either ID WIN-NMR or 2D WIN-NMR in exactly the same way as for data files already stored on your PC hard disk. Open directly transfers and automatically converts (UXNMR/XWINNMR-data) ID or 2D data sets and shows the NMR data in the corresponding WIN-NMR application window for immediate processing. The processed data will not automatically be stored in the WINNMR format. 

To save the converted file, from the File pull-down menu choose the Save as. .. option. In the dialog box that appears on the screen choose the name D NMRDATA FORMAT XWINNMR 2D HH HHUX 001001.SER and select the WINNMR format. Click on the OK button in this dialog box to initialize the save operation. 

The NMR data will be converted and will automatically be saved in the WINNMR format as C DEM01D DAT ASP3000 HDIS 001001.FID, but may also be stored under another name using the Save as. .. option in the File pull-down menu. Make sure that the binary format has been selected in the dialog box appearing on the screen and click the OK button which will initialize the save operation. 

Exit the GETFILE module, go back to the 1D WIN-NMR program and check the new entry in the WINNMR format in the corresponding directory. There should now be a FID file W CDIS 001001.FID. This converted data will be processed in chapter 5.3.2. 

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. 

---