发明名称 |
X-RAY MULTIGRAIN CRYSTALLOGRAPHY |
摘要 |
Disclosed is method of determining one or more unit cells of a poly-crystalline sample and indexing a set DV of 3D diffraction vectors . The method comprising obtaining a plurality of candidate first lattice plane normal vectors and a plurality of candidate second lattice plane normal vectors for a particular unknown grain; using said plurality of candidate first lattice plane normal vectors and said plurality of candidate second lattice plane normal vectors to select a plurality of subsets SSDV_n of the set DV of 3D diffraction vectors and processing said plurality of subsets SSDV_n of 3D diffraction vectors to determine a primary candidate unit cell PCUC defined by three lattice vectors; wherein the primary candidate unit cell PCUC is validated by evaluating the fit of the PCUC with the full set DV of 3D diffraction vectors. |
申请公布号 |
US2017038317(A1) |
申请公布日期 |
2017.02.09 |
申请号 |
US201615228868 |
申请日期 |
2016.08.04 |
申请人 |
Xnovo Technology ApS |
发明人 |
Wejdemann Christian;Poulsen Henning Friis;Lauridsen Erik Mejdal;Reischig Peter |
分类号 |
G01N23/207 |
主分类号 |
G01N23/207 |
代理机构 |
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代理人 |
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主权项 |
1. A method of determining one or more unit cells of a poly-crystalline sample and indexing a set DV of 3D diffraction vectors obtained by illuminating said poly-crystalline sample with an X-ray source at one or more orientations and recording diffraction spots using a at least one 2D or 3D X-ray detector for each of said one or more orientations, said set DV of 3D diffraction vectors being indexed into a plurality of grains, said method comprising the steps of:
(A) obtaining a plurality of candidate first lattice plane normal vectors and a plurality of candidate second lattice plane normal vectors for a particular unknown grain; using said plurality of candidate first lattice plane normal vectors and said plurality of candidate second lattice plane normal vectors to select a plurality of subsets SSDV_n of the set DV of 3D diffraction vectors and processing said plurality of subsets SSDV_n of 3D diffraction vectors to determine a primary candidate unit cell PCUC defined by three lattice vectors; wherein the correspondence of the primary candidate unit cell PCUC is validated by evaluating the fit of the PCUC with the full set DV of 3D diffraction vectors; and (B) determining if the fit of primary candidate unit cell PCUC with the full set DV of 3D diffraction vectors is above a first threshold; wherein if the fit of the primary candidate unit cell PCUC is above said first threshold the primary candidate unit cell PCUC is used to identify a subset ST of the set DV of 3D diffraction vectors originating from a single grain in the poly-crystalline sample, said subset ST is indexed wherein the method returns to step (A) unless a predetermined criteria has been reached. |
地址 |
Koge DK |