About the variable-counting-time techniques in powder diffraction data: their use in EXPO2004
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Iván da Silva
High quality data are essential for crystal structure solution, particularly when Direct Methods instead of Global Optimization Techniques are used. In this work we study the performances of the variable-counting-time techniques in the two crucial steps of the phasing process: decomposition of the full diffraction pattern and direct phasing. The experimental data were collected by a conventional X-ray laboratory diffractometer: they were then submitted to the program EXPO2004 for assessing their usefulness in the phasing process. The results are compared with those obtained by using experimental diffraction data collected via the traditional fixed-counting-time technique under the same experimental conditions.
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Artikel in diesem Heft
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- Crystal structure of a vivianite-type mineral: Mg-rich erythrite, (Co2.16Ni0.24Mg0.60)(AsO4)2 · 8 H2O
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- Structural studies on a stuffed framework high pressure polymorph of CaAl2O4
- New insight into the pectolite – serandite series: a single crystal diffraction study of Na(Ca1.73Mn0.27)[HSi3O9] at 293 and 100 K
- Crystal and molecular structures of 4-substituted 3,4-dihydropyrimidin-2(1H)-ones studied by X-ray and AM1 and B3LYP calculations
- The crystal structure of Pigment Yellow 181 from laboratory powder diffraction data
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Artikel in diesem Heft
- About the variable-counting-time techniques in powder diffraction data: their use in EXPO2004
- Crystal structure of a vivianite-type mineral: Mg-rich erythrite, (Co2.16Ni0.24Mg0.60)(AsO4)2 · 8 H2O
- Temperature-dependent X-ray and neutron diffraction study of BiB3O6
- Structural studies on a stuffed framework high pressure polymorph of CaAl2O4
- New insight into the pectolite – serandite series: a single crystal diffraction study of Na(Ca1.73Mn0.27)[HSi3O9] at 293 and 100 K
- Crystal and molecular structures of 4-substituted 3,4-dihydropyrimidin-2(1H)-ones studied by X-ray and AM1 and B3LYP calculations
- The crystal structure of Pigment Yellow 181 from laboratory powder diffraction data
- BRIZ: a vizualization program for Brillouin zone – Fermi sphere configuration
