Method for estimating the number of nuclei of a preselected isotope in a molecular species from and NMR spectrum
US7009394B2 · kind B2 · utility
Assignee
Inventor
Key dates
| Filing date | Nov 5, 2004 |
| Grant date | Mar 7, 2006 |
| Priority date | — |
| Expiry date | Nov 9, 2024 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG01N24/08
- WIPO fieldMeasurement
- WIPO sectorInstruments
Abstract
A method for estimating the number of nuclei of a preselected isotope in a molecular species starts with an NMR spectrum of a sample containing said molecular species as a predominant substance, said NMR spectrum comprising a plurality of signal peaks corresponding to said nuclei. By applying inclusion and ordering criteria one obtains a set of ordered signal peaks, the integration of which leads to a set of ordered integrals. Nested outer and inner iteration cycles are carried out, wherein for each cycle a trial number of nuclei is assigned to one of said ordered integrals whilst the other ordered integrals are rescaled accordingly and rounded to the next integer value, so as to yield a candidate total number of nuclei. An estimated total number of nuclei is obtained by taking the lowest one from the plurality of candidate total numbers of nuclei that have the highest number of occurrences.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.