• Preface
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  • HKL-2000 Overview
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  • The HKL-2000 Tabs
    • The Data Tab
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    • The Auto Tab
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    • The Summary Tab
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    • The Index Tab
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    • The Integrate Tab
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    • The Scale Tab
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    • The Merge Tab
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    • The Macros Tab
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  • Conventions Used in This Manual
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  • Installing HKL-2000
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  • Starting HKL-2000
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    • Site Definitions
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    • The Site Included option
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    • Creating a new site
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  • Data, Results, and Datasets
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    • The Directory Tree Window
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    • Select the raw data directory
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    • Choose an output file directory
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    • Selecting datasets
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    • Removing sets
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    • Integrate, Scale, and Collect checkboxes
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    • Splitting sets
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    • Checking and Editing Sets
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    • Start working before all frames are collected
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  • Create, Save, and Load Projects
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    • Create and edit projects and crystals
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    • Saving and Loading Projects
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  • Display and Peak Search the Data
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    • Automatic Peak Search
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    • Manual Peak Searches
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    • Secondary Lattices
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    • Adding and Removing Peaks
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    • Peak search on different frames
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  • Auto-Indexing
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    • The Pending Sets window
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    • Initial Parameters for Indexing
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    • Peaks used for autoindexing
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  • Lattice Parameter Refinement
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    • When refinement goes wrong
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    • Initial 3D window setting
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    • Choosing the correct lattice
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    • Primitave triclinic crystals
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    • Positional and Partiality χ2 values
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    • Starting refinement over
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    • Resolution Limits, Fitting Radius and Spot Size
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    • The Profile Fitting Radius
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    • Setting the Spot Size
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    • What is the Elongation Limit?
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    • Setting the integration resolution limit
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    • The Crystal Rotation X, Crystal Rotation Y, and Crystal Rotation Z parameters
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    • The Reference Zone
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    • 3D Window and Mosaicity
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    • Masking the beamstop and other shadows
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  • Strategy and Simulation
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    • Strategy
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    • The I/Sigma and Crystal Dose buttons
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    • Simulation
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    • Combining simulation runs to generate a cohesive strategy
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  • Integrating All Frames
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    • The Integrate button is red. Is this a problem?
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    • Integration
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    • The Crystal Slippage and Special integration buttons.
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    • Integration Information Plots
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    • What is an acceptable range for χ2?
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    • Drastically larger χ2 values
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    • The Mosaicity histogram
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    • How long should this take? How do I know if the program is stuck?
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    • Waiting for image frames.
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    • Updating the site configuration after processing data
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    • How do I stop and start over?
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  • Scaling
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    • Scaling Options
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    • Global Refinement Options
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    • The three Scalepack output Files
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  • Output Statistics and Graphs
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    • Working with anomalous data
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    • The Scaling Controls Box
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    • Space Group Identification
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    • Scaling *.x files without reintegrating diffraction images
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    • Statistics and Scalepack.
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    • The Resolution of Diffraction Data.
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  • The Project Tab After Scaling
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  • Automatic Data Processing
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  • Merging Multiple Scaled Files
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  • Using Macros
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  • Appendix : HKL-2000 Installation
    • Obtaining HKL-2000 installation files
    • License key
    • Using the HKL Installer
    • Installing HKL-2000 manually
    • Starting HKL-2000
  • Appendix - Trouble Shooting
    • When refinement goes wrong
  • Appendix - Indexing and Integration Keywords
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  • Appendix - Scaling Keywords
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