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Case Histories

• A global pharmaceutical company needed to efficiently process their combinatorial chemistry data and generate reports for their chemists. SpectraChrom Software developed an application which the analyst uses to rapidly process their data, storing target compound results, chromatogram and spectral data, and purity values in a non proprietary format, outside of the MassLynx data file format. A Windows COM library was also developed for their IS department, allowing them to write their own custom applications to retrieve this data over their networks, and present it to their chemists as required.

• A nationally accredited independent environmental testing laboratory needed to produce several different electronic deliverables packages for different clients – some in dBase format, others in ASCII, some single file, others spread over multiple files. SpectraChrom Software developed a package to extract the relevant data from their existing results tables, which were generated in Lotus 123. Any extra data their clients needed was entered via user friendly data entry screens, and combined with the Lotus data before being written out to the electronics deliverables files.

• Another global research-based pharmaceutical corporation were having problems finding compounds in their electrospray data. The analyst would acquire data over an 800 amu range, for up to one hour, then manually search through each mass chromatogram looking for potential compounds – in many cases, the TIC trace showed no discernable peaks!! This was a very time consuming process. SpectraChrom Software produced an application which could search through these MassLynx format data files, finding all of the potential peaks. These peaks were then presented to the analyst for final confirmation before being written to the processed data section (history list) of the MassLynx file. The application could process a data file in seconds, compared to the maybe 15 to 20 minutes it would take to process manually. This application, with some additions, will be released as a shrinkwrapped product in the coming months.