title: The critical evaluation of a comprehensive mass spectral library.
abstract: A description of the methods used to build a high quality, comprehensive reference library of electron-ionization mass spectra is presented. Emphasis is placed on the most challenging part of this project--the improvement of quality by expert evaluation. The methods employed for this task were developed over the course of a spectrum-by-spectrum review of a library containing well over 100,000 spectra. Although the effectiveness of this quality improvement task depended critically on the expertise of the evaluators, a number of guidelines are discussed which were found to be effective in performing this onerous and often subjective task. A number of specific examples of the particularly challenging task of spectrum editing are given.
authors: NIST Mass Spectrometry Data Center, Gaithersburg, Maryland 20899, USA.
authors: P
authors: P
authors: Ausloos
authors: C L
authors: CL
authors: Clifton
authors: S G
authors: SG
authors: Lias
authors: A I
authors: AI
authors: Mikaya
authors: S E
authors: SE
authors: Stein
authors: D V
authors: DV
authors: Tchekhovskoi
authors: O D
authors: OD
authors: Sparkman
authors: V
authors: V
authors: Zaikin
authors: D
authors: D
authors: Zhu
mesh_terms: D055598:Chemical Phenomena; D002621:Chemistry; D016208:Databases, Factual / Q000592:standards*; D008401:Gas Chromatography-Mass Spectrometry / Q000592:standards; D013058:Mass Spectrometry / Q000592:standards*; D009626:Terminology as Topic