Ultrahigh Resolution Isotope Distribution Calculations

Autor:	Steven L. Van Orden, Richard D. Smith, Alan L. Rockwood
Rok vydání:	1996
Předmět:	Alternative methods Isotope Chemistry Organic Chemistry Analytical chemistry Function (mathematics) Analytical Chemistry Computational physics Ultrahigh resolution Range (statistics) Digital filter Scaling Spectroscopy Isotope distribution
Zdroj:	Rapid Communications in Mass Spectrometry. 10:54-59
ISSN:	1097-0231 0951-4198
DOI:	10.1002/(sici)1097-0231(19960115)10:1<54::aid-rcm444>3.0.co;2-z
Popis:	A modification of a previously described Fourier-transform-based algorithm for calculating isotope distributions is presented. It allows one to calculate ultrahigh resolution isotope distributions on computers having limited memory resources and incudes a peak-shape function as an inherent part of the calculation. The method zooms-in on a limited mass range and uses digital filtering to reduce the required array size for the calculation. Alternative methods typically have very unfavorable scaling properties as molecular weight increases, making them unsuitable for this application. At present, the method is probably the only practicable way to calculate ultrahigh resolution isotope distributions of very large molecules using computers having limited memory resources.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::9a818ae4fb51b57f04069a7daddb30da https://doi.org/10.1002/(sici)1097-0231(19960115)10:1<54::aid-rcm444>3.0.co Zobrazit plný text záznamu Plný text