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  • X RD Structure

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    The Negative Angle
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    Tutorial 1

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    x Rd Structure

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    Tutorial 1

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    © All Rights Reserved
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    Download as pdf or txt
    19 views1 page

    X RD Structure

    Uploaded by

    The Negative Angle
    Tutorial 1

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Flag for inappropriate content
    Download as pdf or txt
    of 1

    CrystalStructureProblem

    WINGXisasystemofcrystallographicprogramsforthePCtosolveandrefinecrystalstructuresfromX
    rayorneutrondiffractionintensitydata.

    GototheWINGXwebsiteanddownload

    http://www.chem.gla.ac.uk/~louis/software/wingx/ver164.html

    Installthesoftware.Youmayneedtoapplyforalicenseandsetsomeenvironmentvariablesonyour
    computer.

    OrusethecomputerontheCCDdiffractometerintheXraylabandstartWinGX32fromtheshortcuton
    thedesktop.

    Createadirectoryanddownloadthefollowingfiles

    http://ruby.colorado.edu/~smyth/G5700/structures/SZ0820d.ins

    http://ruby.colorado.edu/~smyth/G5700/structures/SZ0820d.hkl

    StartWinGX

    UndertheFILEheadingselectCHANGEPROJECT>Selectnewproject

    BrowsetoyourstructuredirectoryandselectyourfileSZ0820d.insfile.

    UndertheRefineheadingselectSHELXL97

    Theprogramwillrunandcreateashelxl.lstfilewhichwillhavethecontentsofyourcrystalstructure
    refinement.

    Opentheshelxl.lstfile.

    HowmanytotalreflectionsareintheHKLfile?

    Howmanyuniquereflectionsarethere?

    WhatisthefinalRfactor(R1)?Listedbelowthefinalatompositionparameters?

    Whatisthefinaloxygenpositionparameter?

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