Pure and Applied Chemistry · 1999 · 27 citations · 0 references
Natural SciencesChemistryGood Laboratory PracticeSpectroscopic AnalysisSpectroscopyMagnetic Resonance SpectroscopyMass SpectrometryMass Spectrometry Data AnalysisMolecular SpectroscopyPrecision SpectroscopyRadio SpectroscopyGood Laboratory Practice InspectionLabelsNuclear Magnetic Resonance Spectroscopy Data AnalysisSpectral Quality Assessment
Version 5.00 of the JCAMP-DX specifications were published for NMR and Mass Spectrometry file formats in Appl. Spectrosc. 47 , 1093-1099, (1993) and Appl. Spectrosc. 48 , 1545-1552, (1994). Since publication of these protocols developments in spectroscopy have led to a large number of requests for additions for applications not originally covered. Following careful consideration, it has become apparent that a few minor modifications will significantly increase the range of possible applications. In addition, new data labels have been introduced to ensure that files are year 2000 compliant and allow for conformity with good laboratory practices (GLP). These modifications are detailed in this publication as well as examples of the official NTUPLE JCAMP-DX definition as applied to NMR data.