Formats
Open standards in the realm of analytical chemistry have existed for a long time. Some have better marketing than others. Time for an overview of what already exists. JCAMP-DX The earliest open standard that is still around is JCAMP-DX from the International Union of Pure and Applied Chemistry, which in
We talked about identifying peaks using the NIST mass spectral libraries before, which is great if the compound you are searching for is actually in the library, but what if it isn't? Mass spectral identification is always about patterns of fragments, and you can use that to your
Identifying
ChromIdent by Lablicate can be used to compare complex chromatograms and build up databases to search through. The design of ChromIdent™ dates back to 2010, when an automated approach to analyze complex pyrolysis GC-MS was developed for the pulp and paper industry as data evaluation was a bottleneck. A database
Identifying
A few years ago we presented external NIST integration where you install the NIST AMDIS and MS Search tools on your computer, trigger a search and import the results into OpenChrom. We even made it work on Linux and macOS thanks to an emulation layer called Wine. However, setting this
Identifying
Identifying substances via mass spectra with the help of computers started in the 1970s. PBM, short for Probability Based Matching, drafted by Fred McLafferty and his students at Cornell University, stands out because it was also commercially available in products such as the popular Agilent ChemStation®. Over the decades, the
Formats
Lablicate has been an early member of the Allotrope Partner Network (APN) because we believe that open standards in analytical chemistry are important, in fact, more important than ever before. If you want retrievable data in your company or in science, it cannot be saved in vendor-specific formats. You still
Lablicate GmbH is proud to be involved in the development of an easy MOSH/MOAH data analysis software in cooperation with GERSTEL GmbH & Co. KG. It's a perfect combination of OpenChrom®, as a versatile chromatography data system (CDS), and a specialized add-on to make the life of