USE WITH INSTRUMENT DATA SYSTEMS

USE WITH INSTRUMENT DATA SYSTEMS

For the implementation it may be necessary to determine the location of the NIST MS Search program files and the location of the NIST MS Search work directory. These may be found in the [NISTMS] section of the WIN.INI file located in the %windir% directory. Below is a typical example of this section:

[NISTMS]

Path32=C:\NIST05\MSSEARCH\

WorkDir32=C:\NIST05\MSSEARCH\

Amdis32Path=C:\NIST05\AMDIS32\

AmdisMSPath=C:\NIST05\AMDIS32\

The string beyond “Path32=” is the path to MS Search program directory (location of the executable files); the string beyond “WorkDir32=” is the path to the MS Search work directory (location of the history, hits, etc.). Two other items refer to AMDIS and its connection to the MS Search.

If your data system is capable of exporting spectra to the NIST format (described in the USER LIBRARIES section of this manual) and you can execute a Windows program from within your data system, this feature is available to you. Implementation of this feature has been provided on some data systems.

The command string used to start or bring into focus the NIST MS Search Program for Windows is:

C:\NIST05\MSSEARCH\NISTMS$.EXE /instrument

assuming the program is in the C:\NIST05\MSSEARCH directory; if it is in some other directory, make the appropriate substitution.

Two locator files are required to use the automation features:

1. The first locator file must be in the MS Search work directory, have the name AUTOIMP.MSD, and contain the text string describing the name and location of the second locator file. For example:

C:\MYMSDS\FILESPEC.FIL

where: C:\MYMSDS is the directory where the file, FILSPEC.FIL, resides.

This file can be created with any text editor.

2. The second locator file is created each time you save spectra to a separate file to be imported by the MS Search. This second locator file contains the text string that describes the name and location of the text file containing the spectrum (or spectra) in the NIST Text file format described later. You can specify whether the spectra in the NIST MS Search Program’s Spec List Window are added to or replaced by the automatic import. An example of the contents of the second locator file is:

C:\MYMSDS\DATA\DATAFILE.TXTOVERWRITE or APPEND

where: C:\MYMSDS\DATA\DATAFILE.TXT is the full pathname of the file containing the spectra, and one of the words OVERWRITE or APPEND is the instruction as to how the spectra are added to the Spec List Window. To enable switching the focus back from the MS Search the second line containing main window handle numbers of the data system application may be added (see Figure 23 for details).

This second locator file is deleted each time the NIST MS Search Program is brought into focus and spectra are imported. Figure 23 illustrates the implementation. The upper part of each box contains a file name, the bottom part is the contents of the file. Black arrows show logical connections between the files.