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advanced:2pi_or_not [2019/02/20 19:18] smerkel |
advanced:2pi_or_not [2019/02/21 06:27] (current) smerkel |
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Among multigrain XRD software: | Among multigrain XRD software: | ||
* [[software:imaged11|ImageD11]] assumes ||**G**|| = 1/d, | * [[software:imaged11|ImageD11]] assumes ||**G**|| = 1/d, | ||
- | * g-vector files [[fileformat:gve|fileformat:gve]] generated by [[software:imaged11|ImageD11]] also assume ||**G**|| = 1/d, | + | * g-vector files [[fileformat:gve|gve]] generated by [[software:imaged11|ImageD11]] also assume ||**G**|| = 1/d, |
* [[software:polyxsim|polyxsim]], [[software:fitallb|fitallb]], or the [[software:xfab|xfab]] library use a 2π prefactor in the calculations of **G** and the **B** matrix, | * [[software:polyxsim|polyxsim]], [[software:fitallb|fitallb]], or the [[software:xfab|xfab]] library use a 2π prefactor in the calculations of **G** and the **B** matrix, | ||
* [[software:grainspotter|GrainSpotter]] multiplies g-vectors by 2π when reading in and uses a **B** matrix that includes the 2π internally. | * [[software:grainspotter|GrainSpotter]] multiplies g-vectors by 2π when reading in and uses a **B** matrix that includes the 2π internally. | ||
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For details on **U** and **B** matrices calculations, refer to | For details on **U** and **B** matrices calculations, refer to | ||
* {{ :processing:fable_geometry_version_1.0.8.pdf |}}, | * {{ :processing:fable_geometry_version_1.0.8.pdf |}}, | ||
- | * or {{ :advanced:1967-busing-levy-3-4-circle-acta22.pdf | the 1967 Busing and Levy publication}}. | + | * or the 1967 Busing and Levy publication: W. R. Busing and H. A. Levy, Angle calculations for 3- and 4-circle X-ray and neutron diffractometers, //Acta Cryst.// **22**, 457-464 (1967) [doi: [[https://doi.org/10.1107/S0365110X67000970|10.1107/S0365110X67000970]] ] |