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topics [2025/09/19 15:28] – old revision restored (2025/09/17 00:00) johnsoevanstopics [2025/09/25 14:30] (current) – removed 169.254.152.1
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-====== Topics ====== 
- 
-Please create your own wiki pages here. Simply insert an internal link to a wiki page and create it.  Add a signature if you want to flag who originated the page. Please try to keep this list in alphabetical order. 
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-  * [[Known Errors and workarounds]] 
- 
-  * [[Alternative space group settings]] 
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-  * [[Anisotropic crystallite size]] 
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-  * [[Anisotropic temperature factors]] 
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-  * [[Automating multiple refinements]] 
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-  * [[Background polynomial]] 
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-  * [[Background, straight line segments]] 
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-  * [[Bond valence restraints]] 
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-  * [[out_pdcif|CIF file output]] 
- 
-  * [[CIF to INP format]] 
- 
-  * [[Command line running]] 
- 
-  * [[Command line commands to know]] 
- 
-  * [[Concatenate strings in input file]] and autonumber output files 
- 
-  * [[Conjugate Gradient versus SVD or LU decomposition]] 
-  
-  * [[Controlling number of cycles in continue_after_convergence]] 
- 
-  * [[Converting Q data files to 2Th data files]] 
-  
-  * [[optional sections]] #define and #prm 
-  
-  * [[del parameter]] 
-  
-  * [[Emission Profile Modelling]] 
- 
-  * [[Filter plots]] 
- 
-  * [[num_runs_2_0_determine_background_1_refine_structure|Fixing background during refinement]] 
- 
-  * [[Get coordinates]] 
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-  * [[Get() values]] 
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-  * [[hkl dependent peak shapes]] 
- 
-  * [[include and ingest]] 
- 
-  * [[List command]] #list 
- 
-  * [[Lorentz and Polarisation Factors]] 
- 
-  * [[Magnetic Refinements]] 
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-  * [[Mass attenuation coefficient corresponding to XRF results]] 
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-  * [[Matching a rigid body to a known fragment]] 
- 
-  * [[Nickel filter and background steps]] 
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-  * [[Noise simulation]] - Version 5 
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-  * [[OpenGL, 3D Viewing of atoms]] 
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-  * [[Outputting publication quality plots]] 
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-  * [[Outputting publication quality plots using EXPGUI]] 
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-  * [[Parameter dependences]] 
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-  * [[PDF fitting]] 
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-  * [[Pawley refinement and background fitting]] 
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-  * [[Penalties and restraints]] 
- 
-  * [[Powgen peak shape]] 
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-  * [[QPA method requiring no crystal structure - Molecular Scattering Power (MSP) method]] 
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-  * [[QPA method requiring no crystal structure - Joint PONKCS-MSP method]] 
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-  * [[Refining/Setting Weight Percents directly]] 
- 
-  * [[Resources]] 
- 
-  * [[Retrieving coordinates of negative Fourier peaks]] 
- 
-  * [[Rigid Body - Matching to a known fragment]] 
- 
-  * [[Rwp jumps, continue_after_convergence, etc]] 
- 
-  * [[Saving OUT files as a function of Run_Number]] 
- 
-  * [[Scope and where to put parameters]] 
- 
-  * [[sequential_refinements|Sequential Refinements]] 
- 
-  * [[Set up on university computer]] 
- 
-  * [[Simplifying INP files - Refining on 1000s of patterns simultaneously]] 
- 
-  * [[Stacking faults]] 
- 
-  * [[String equations]] 
- 
-  * [[Structure solution]] 
- 
-  * [[Tagging objects with local and using Prm_There in for {} constructs]] 
- 
-  * [[Time of flight (tof) ISIS instrument standard files]] 
- 
-  * [[Time of flight (tof) peak fitting]] 
- 
-  * [[Test Page]] 
- 
-  * [[tls_refinement|TLS refinement]] 
- 
-  * [[updates_automatic|Updates]] 
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-  * [[User Meetings]] 
- 
-  * [[Using jEdit]] 
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-  * [[WPPM Macros]] 
- 
-  * [[test3]] 
- 
  
topics.1758295692.txt.gz · Last modified: 2025/09/19 15:28 by johnsoevans