Posted by: tvasailor | August 28, 2011

Using NIST Search Program with Data Processing and Drawing Programs

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NIST has greatly facilitated the utilization of the NIST Version 2 library search software package with a wide variety of other data processing and structural drawing packages.

nist_search

The NIST software includes a data processing program:

AMDIS

We use AMDIS, but also use the NIST search with a variety of other data processing programs.  I have included some links with instructions to setting up several of these programs below.

David Sparkman indicated that sometimes problems are noted in transferring spectra from a manufacturer’s data processing to the NIST search for processing.  This can often be fixed by deleting the AUTOIMP.MSD file found in the same directory as the installed NIST search software.  The file will then be created correctly when starting the transfer of the spectrum from the manufacturer’s program to the NIST search.

Agilent MassHunter:

NIST_agilent_masshunter

MassLynx:

NIST_waters_masslynx

I occasionally had problems getting MassLynx to work, see attached fix:

NIST_waters_masslynx_possible_problem

Xcalibur:

NIST_thermo_xcalibur

Various Structural Drawing Packages:

NIST_various_structure_programs

Agilent LC-MSD software:

NIST_agilent_msd_chemstation

ACD Software:

NIST_acd

Wsearch: This program exports spectra to NIST search and supports many different file formats.

Link_to_wsearch_program

Using NIST as Corporate Database/Archive:

NIST_Corporate_Database

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