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Integration in ChromatographyIntegration•Chromatography Data System (CDS)•Bundled with chromatograph / MS• Xcalibur ® (Thermo Scientific)• Analyst ® (Applied Biosystems/MDS Sciex)• EZChrome Elite (Agilent Technologies)• Empower (Waters)• Chromeleon ® (Dionex)• LabSolutions (Shimadzu)•Commercial, vendor independent• PowerChrom ® (eDAQ)•Cross-platform freeware• ezDataPowerChrom ® (chemilab.net)•Deconvolution• PeakFIT ® (Systat)Workshop | Bucarest, 19 March 201330 • 32
Integration in ChromatographyIntegration•Chromatography Data System (CDS)•Important points• Audit Trail?• Data transfer to LIMS?• Data format: Preferable not only the integrationparameters, but the raw peak slices are stored.• ANDI/netCDF (AIA) Chromatography Data InterchangeFormat (ASTM standard E1947-98)• Last resort: CSV (Character Separated Variables)• FDA 21 CFR Part 11 compliant (rarely; ask!)• If possible data should not be stored only at the instrument’sPC, but copied to a central location for securedbackup.• Provide the sponsor a DVD with raw data files.Workshop | Bucarest, 19 March 201331 • 32
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