Linear prediction of structure factors in x-ray crystallography
US6438204B1 · kind B1 · utility
Assignee
Inventor
Key dates
| Filing date | May 8, 2001 |
| Grant date | Aug 20, 2002 |
| Priority date | — |
| Expiry date | May 8, 2021 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG01N23/20
- WIPO fieldMeasurement
- WIPO sectorInstruments
Abstract
A method uses linear prediction analysis to define a first structure factor component for a first reflection from x-ray crystallography data. The x-ray crystallography data includes a set of cognizable reflections. The method includes expressing the first structure factor component as a first linear equation in which the first structure factor component is equal to a sum of a first plurality of terms. Each term includes a product of (1) a structure factor component for a cognizable reflection from the x-ray crystallography data, wherein the cognizable reflection has a separation in reciprocal space from the first reflection, and (2) a linear prediction coefficient corresponding to the separation between the cognizable reflection and the first reflection. The method further includes calculating values for the linear prediction coefficients. The method further includes substituting the values for the linear prediction coefficients into the first linear equation, thereby defining the first structure factor component for the first reflection.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.