Schema Refine.xsd


element Refine_KT

diagram

element Refine_KT/Refine

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attributes	Name   Type   Use   Default   Fixed   EntryId   idstring   required

element Refine_KT/Refine/BIsoMax

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type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      angstroms_squared

element Refine_KT/Refine/BIsoMean

diagram
type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      angstroms_squared

element Refine_KT/Refine/BIsoMin

diagram
type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      angstroms_squared

element Refine_KT/Refine/AnisoB11

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type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      angstroms_squared

element Refine_KT/Refine/AnisoB12

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type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      angstroms_squared

element Refine_KT/Refine/AnisoB13

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type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      angstroms_squared

element Refine_KT/Refine/AnisoB22

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type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      angstroms_squared

element Refine_KT/Refine/AnisoB23

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type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      angstroms_squared

element Refine_KT/Refine/AnisoB33

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type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      angstroms_squared

element Refine_KT/Refine/CorrelationCoeffFoFc

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type	xsd:decimal

element Refine_KT/Refine/CorrelationCoeffFoFcFree

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type	xsd:decimal

element Refine_KT/Refine/Details

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type	xsd:string

element Refine_KT/Refine/DiffDensityMax

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type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      electrons_per_angstroms_cubed

element Refine_KT/Refine/DiffDensityMaxEsd

diagram
type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      electrons_per_angstroms_cubed

element Refine_KT/Refine/DiffDensityMin

diagram
type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      electrons_per_angstroms_cubed

element Refine_KT/Refine/DiffDensityMinEsd

diagram
type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      electrons_per_angstroms_cubed

element Refine_KT/Refine/DiffDensityRms

diagram
type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      electrons_per_angstroms_cubed

element Refine_KT/Refine/DiffDensityRmsEsd

diagram
type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      electrons_per_angstroms_cubed

element Refine_KT/Refine/LsRFsqdFactorObs

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsRIFactorObs

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsRFactorRFree

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsRFactorRFreeErr

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type	xsd:decimal

element Refine_KT/Refine/LsRFactorRFreeErrDetails

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type	xsd:string

element Refine_KT/Refine/LsRFactorRWork

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsRFactorAll

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsRFactorObs

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsAbsStructFlack

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsAbsStructFlackEsd

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type	xsd:decimal

element Refine_KT/Refine/LsAbsStructRogers

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type	xsd:decimal

element Refine_KT/Refine/LsAbsStructRogersEsd

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type	xsd:decimal

element Refine_KT/Refine/LsAbsStructDetails

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type	xsd:string

element Refine_KT/Refine/LsDResHigh

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsDResLow

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsExtinctionCoef

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type	xsd:decimal

element Refine_KT/Refine/LsExtinctionCoefEsd

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type	xsd:decimal

element Refine_KT/Refine/LsExtinctionExpression

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type	xsd:string

element Refine_KT/Refine/LsExtinctionMethod

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type	xsd:string

element Refine_KT/Refine/LsGoodnessFitAll

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsGoodnessFitAllEsd

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type	xsd:decimal

element Refine_KT/Refine/LsGoodnessFitObs

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsGoodnessFitObsEsd

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type	xsd:decimal

element Refine_KT/Refine/LsHydrogenTreatment

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type	restriction of xsd:string
facets	enumeration  refall enumeration  refxyz enumeration  refU enumeration  noref enumeration  constr enumeration  mixed enumeration  undef

element Refine_KT/Refine/LsMatrixType

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type	restriction of xsd:string
facets	enumeration  full enumeration  fullcycle enumeration  atomblock enumeration  userblock enumeration  diagonal enumeration  sparse

element Refine_KT/Refine/LsNumberConstrs

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsNumberParams

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsNumberReflnsRFree

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsNumberReflnsRWork

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsNumberReflnsAll

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsNumberReflnsObs

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsNumberRestraints

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsPercentReflnsRFree

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type	xsd:decimal

element Refine_KT/Refine/LsPercentReflnsObs

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type	xsd:decimal

element Refine_KT/Refine/LsRedundancyReflnsAll

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type	xsd:integer

element Refine_KT/Refine/LsRedundancyReflnsObs

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type	xsd:integer

element Refine_KT/Refine/LsRestrainedSAll

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsRestrainedSObs

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsShiftOverEsdMax

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsShiftOverEsdMean

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsStructFactorCoef

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type	restriction of xsd:string
facets	enumeration  F enumeration  Fsqd enumeration  Inet

element Refine_KT/Refine/LsWrFactorRFree

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsWrFactorRWork

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsWrFactorAll

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsWrFactorObs

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/LsWeightingDetails

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type	xsd:string

element Refine_KT/Refine/LsWeightingScheme

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type	restriction of xsd:string
facets	enumeration  sigma enumeration  unit enumeration  calc

element Refine_KT/Refine/OccupancyMax

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/OccupancyMin

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type	union of (restriction of xsd:decimal, restriction of xsd:decimal, restriction of xsd:decimal)

element Refine_KT/Refine/OverallFomFreeRSet

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type	xsd:decimal

element Refine_KT/Refine/OverallFomWorkRSet

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type	xsd:decimal

element Refine_KT/Refine/OverallSuB

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type	xsd:decimal

element Refine_KT/Refine/OverallSuMl

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type	xsd:decimal

element Refine_KT/Refine/OverallSuRCruickshankDpi

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type	xsd:decimal

element Refine_KT/Refine/OverallSuRFree

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type	xsd:decimal

element Refine_KT/Refine/PdbxRFreeSelectDetails

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type	xsd:string

element Refine_KT/Refine/PdbxDataCutoffHighAbsf

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type	xsd:decimal

element Refine_KT/Refine/PdbxDataCutoffHighRmsAbsf

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type	xsd:decimal

element Refine_KT/Refine/PdbxDataCutoffLowAbsf

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type	xsd:decimal

element Refine_KT/Refine/PdbxIsotropicThermalModel

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type	xsd:string

element Refine_KT/Refine/PdbxLsCrossValidMethod

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type	xsd:string

element Refine_KT/Refine/PdbxLsSigmaF

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type	xsd:decimal

element Refine_KT/Refine/PdbxLsSigmaI

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type	xsd:decimal

element Refine_KT/Refine/PdbxMethodDetermineStruct

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type	xsd:string

element Refine_KT/Refine/PdbxOverallEsuR

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type	xsd:decimal

element Refine_KT/Refine/PdbxOverallEsuRFree

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type	xsd:decimal

element Refine_KT/Refine/PdbxSolventIonProbeRadii

diagram
type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      angstroms

element Refine_KT/Refine/PdbxSolventShrinkageRadii

diagram
type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      angstroms

element Refine_KT/Refine/PdbxSolventVdwProbeRadii

diagram
type	extension of xsd:decimal
attributes	Name   Type   Use   Default   Fixed   units   xsd:string   optional      angstroms

element Refine_KT/Refine/PdbxStartingModel

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type	xsd:string

element Refine_KT/Refine/PdbxStereochTargetSpecCase

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type	xsd:string

element Refine_KT/Refine/PdbxStereochTargetValues

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type	xsd:string

element Refine_KT/Refine/SolventModelDetails

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type	xsd:string

element Refine_KT/Refine/SolventModelParamBsol

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type	xsd:decimal

element Refine_KT/Refine/SolventModelParamKsol

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type	xsd:decimal

XML Schema documentation generated with XMLSPY Schema Editor http://www.altova.com/xmlspy