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.
The NIST software includes a data processing program, AMDIS:
Handouts and YouTubes on Using 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.
Interfacing to Manufacturers’ Data Processing and Drawing Programs:
As I mentioned above, the program can be easily interfaced to an instrument manufacturer’s data system. I have included below a simple descripition that I wrote and a more detailed one from David Sparkman, a NIST contractor.
Also specific information for commercial mass spec data systems is also listed below:
Agilent MassHunter:
MassLynx:
I occasionally had problems getting MassLynx to work, see attached fix:
NIST_waters_masslynx_possible_problem
Xcalibur:
Various Structural Drawing Packages:
NIST_various_structure_programs
Agilent LC-MSD software:
ACD Software:
Wsearch: This program exports spectra to NIST search and supports many different file formats.
Using NIST as Corporate Database/Archive:
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