SHELXT– Integrated space‐group and crystal‐structure determination

The new computer program SHELXT employs a novel dual‐space algorithm to solve the phase problem for single‐crystal reflection data expanded to the space group P1. Missing data are taken into account and the resolution extended if necessary. All space groups in the specified Laue group are tested to...

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Bibliographic Details
Published in:Acta crystallographica. Section A, Foundations and advances Foundations and advances, 2015-01, Vol.71 (1), p.3-8
Main Author: Sheldrick, George M.
Format: Article
Language:English
Subjects:
ALGORITHMS
ATOMS
COMPUTER CODES
Computer programs
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
CRYSTAL STRUCTURE
DENSITY
Diffraction
direct methods
dual‐space recycling
ELECTRON DENSITY
element assignment
Inversions
MOLECULES
MONOCRYSTALS
ORIGIN
Patterson superposition
Phase shift
RECYCLING
REFLECTION
Research Papers
RESOLUTION
Searching
SPACE GROUPS
space‐group determination
SYMMETRY
Unit cell
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