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topics [topas wiki]

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topics [2024/03/08 10:09] (current) 169.254.131.1
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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.
 +
 +  * [[Known Errors and workarounds]]
 +
 +  * [[Alternative space group settings]]
 +
 +  * [[Anisotropic crystallite size]]
 +
 +  * [[Anisotropic temperature factors]]
 +
 +  * [[Automating multiple refinements]]
 +
 +  * [[Background polynomial]]
 +
 +  * [[Background, straight line segments]]
 +
 +  * [[Bond valence restraints]]
 +
 +  * [[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]]
 +
 +  * [[num_runs_2_0_determine_background_1_refine_structure|Fixing background during refinement]]
 +
 +  * [[Get coordinates]]
 +
 +  * [[Get() values]]
 +
 +  * [[hkl dependent peak shapes]]
 +
 +  * [[List command]] #list
 +
 +  * [[Lorentz and Polarisation Factors]]
 +
 +  * [[Magnetic Refinements]]
 +
 +  * [[Mass attenuation coefficient corresponding to XRF results]]
 +
 +  * [[Matching a rigid body to a known fragment]]
 +
 +  * [[Nickel filter and background steps]]
 +
 +  * [[Noise simulation]] - Version 5
 +
 +  * [[OpenGL, 3D Viewing of atoms]]
 +
 +  * [[Outputting publication quality plots]]
 +
 +  * [[Outputting publication quality plots using EXPGUI]]
 +
 +  * [[Parameter dependences]]
 +
 +  * [[PDF fitting]]
 +
 +  * [[Pawley refinement and background fitting]]
 +
 +  * [[Penalties and restraints]]
 +
 +  * [[Powgen peak shape]]
 +
 +  * [[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]]
 +
 +  * [[User Meetings]]
 +
 +  * [[Using jEdit]]
 +
 +  * [[WPPM Macros]]
 +