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Fr = PHASEX-refined str.f. of. the remainder of the structure. enantiomorph problem ... electron density interpreation. chemical knowledge. cell contents, H.A. ...
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Automatic structure determination: Challenges for the future ECM21-2003 ... Absorption corrections (analytical, semi-empirical, ref-delF) ...
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Building a teaching course around crystallographic freeware Lachlan M. D. Cranswick - CCP14 Project, UK and Geochemistry - Lamont-Doherty Earth Observatory of
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PLATON TUTORIAL A.L.Spek, ... What is PLATON A Multipurpose Crystallographic Tool Compatible with and Complementary to P.D. SHELX & Bruker-AXS SHELXTL Public ...
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PLATON TUTORIAL A.L.Spek, National Single Crystal Service Facility, Utrecht, The Netherlands. Who Are We ? We, a small group of 3 to 4 people run a National Single ...
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Title: PLATON TUTORIAL Author: spek Last modified by: spek Created Date: 5/15/2003 3:07:55 PM Document presentation format: On-screen Show Company
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PLATON, New Options Ton Spek, National Single Crystal Structure Facility, Utrecht, The Netherlands. Delft, Sept. 18, 2006. Overview of this Presentation PLATON ...
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Title: Absolute Structure Determination of Chiral Molecules: State-of-the-Art X-ray Diffraction based Tools Author: spea Last modified by: spea Created Date
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Molecular Graphics (PLUTON, ORTEP,Fourier) Absorption Correction Tools(MULABS,TOMPA) ... Automatic PLUTON style PLOT. Simulated Powder Pattern. H-Bond Table ...
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Semi Public domain' (I.e. free-of-charge for academics, but with a License Fee ... DEFINE SOLVENT ACCESSIBLE VOID. STEP # 3 EXTEND INNER VOLUME WITH POINTS WITHIN ...
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Working with Unix Directories. Every file is in a directory (the prompt) ... To change directory cd ... list of the files in a directory the command is ls ...
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Single Crystal Structure Determination of Organic and Organometallic Compounds A.L. (Ton) Spek National Single Crystal Service Facility Utrecht University
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Early Applications (Bijvoet, Peerdeman & van Bommel). The Flack Parameter The Current De-facto Absolute Structure Analysis Tool ( IUCr Approved' ...
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An Overview of the Status of Single Crystal X-Ray Structure Determination ... A pretty picture, but what about the numbers ... Parameter Model Refinement ...
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On crystallographic computing from the perspective of a small-molecule ... it also solved all other notoriously unsolvable structures' hanging around in the lab. ...
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Use defaults to set up a strategy ... After solution there will be 5 cycles of SHELXL (xl) run ... Run OUTLIER to remove bad data ...
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Many of the older software developers, like me, have a background in Direct ... Mainframe Lab Mini (MicroVAX) PC/WS. Software Languages ...
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