def generateExecutiveSummary(self, _edPlugin):
"""
Generates a summary of the execution of the plugin.
"""
EDPluginMOSFLMv10.generateExecutiveSummary(self, _edPlugin)
self.DEBUG("EDPluginMOSFLMIntegrationv10.createDataMOSFLMOutputIndexing")
xsDataMOSFLMInputIntegration = self.getDataInput()
xsDataMOSFLMOutputIntegration = self.getDataOutput()
if xsDataMOSFLMOutputIntegration.getNumberOfFullyRecordedReflections() is not None:
self.addExecutiveSummaryLine("Execution of MOSFLM integration successful.")
self.addExecutiveSummaryLine("Image directory : %s" % xsDataMOSFLMInputIntegration.getDirectory().getValue())
self.addExecutiveSummaryLine("Image template : %s" % xsDataMOSFLMInputIntegration.getTemplate().getValue())
self.addExecutiveSummaryLine("Image start : %4d" % xsDataMOSFLMInputIntegration.getImageStart().getValue())
self.addExecutiveSummaryLine("Image end : %4d" % xsDataMOSFLMInputIntegration.getImageEnd().getValue())
fRotationAxisStart = xsDataMOSFLMInputIntegration.getRotationAxisStart().getValue()
fOscillationWidth = xsDataMOSFLMInputIntegration.getOscillationWidth().getValue()
self.addExecutiveSummaryLine("Rotation axis start : %4.1f [degrees]" % fRotationAxisStart)
self.addExecutiveSummaryLine("Rotation axis end : %4.1f [degrees]" % (fRotationAxisStart + fOscillationWidth))
self.addExecutiveSummaryLine("")
iNumberOfFullyRecordedReflections = xsDataMOSFLMOutputIntegration.getNumberOfFullyRecordedReflections().getValue()
self.addExecutiveSummaryLine("Number of fully recorded reflections : %5d" % iNumberOfFullyRecordedReflections)
self.addExecutiveSummaryLine("Number of partials : %5d" % xsDataMOSFLMOutputIntegration.getNumberOfPartialReflections().getValue())
self.addExecutiveSummaryLine("Number of overlapped reflections : %5d" % xsDataMOSFLMOutputIntegration.getNumberOfOverlappedReflections().getValue())
self.addExecutiveSummaryLine("Number of reflections with negative intensity : %5d" % xsDataMOSFLMOutputIntegration.getNumberOfNegativeReflections().getValue())
self.addExecutiveSummaryLine("Number of bad reflections : %5d" % xsDataMOSFLMOutputIntegration.getNumberOfBadReflections().getValue())
self.addExecutiveSummaryLine("")
self.addExecutiveSummaryLine("RMS spot deviation : %5.3f [mm]" % xsDataMOSFLMOutputIntegration.getRMSSpotDeviation().getValue())
self.addExecutiveSummaryLine("Average I/sigma overall : %5.1f" % xsDataMOSFLMOutputIntegration.getOverallIOverSigma().getValue())
self.addExecutiveSummaryLine("Average I/sigma at highest resolution : %5.1f" % xsDataMOSFLMOutputIntegration.getHighestResolutionIOverSigma().getValue())
self.addExecutiveSummaryLine("")
self.addExecutiveSummaryLine("Analysis as a function of resolution:")
strResolution = "Res (Ang) "
strNumberProfileFittedFullyRecorded = "Number "
strAverageIntensityProfileFittedFullyRecorded = " <I> "
strAverageIOverSigmaProfileFittedFullyRecorded = " <I/sigma>"
strNumberProfileFittedPartials = "Number "
strAverageIntensityProfileFittedPartials = " <I> "
strAverageIOverSigmaProfileFittedPartials = " <I/sigma>"
for xsDataMOSFLMIntegrationStatisticsPerResolutionBin in xsDataMOSFLMOutputIntegration.getStatisticsPerResolutionBin():
fMaxResolution = xsDataMOSFLMIntegrationStatisticsPerResolutionBin.getMaxResolution().getValue()
strResolution += "%7.2f" % fMaxResolution
xsDataMOSFLMIntegrationStatisticsProfileFitted = xsDataMOSFLMIntegrationStatisticsPerResolutionBin.getProfileFitted()
xsDataMOSFLMIntegrationStatisticsProfileFittedFullyRecorded = xsDataMOSFLMIntegrationStatisticsProfileFitted.getFullyRecorded()
strNumberProfileFittedFullyRecorded += "%7d" % xsDataMOSFLMIntegrationStatisticsProfileFittedFullyRecorded.getNumberOfReflections().getValue()
strAverageIntensityProfileFittedFullyRecorded += "%7.0f" % xsDataMOSFLMIntegrationStatisticsProfileFittedFullyRecorded.getAverageIntensity().getValue()
strAverageIOverSigmaProfileFittedFullyRecorded += "%7.1f" % xsDataMOSFLMIntegrationStatisticsProfileFittedFullyRecorded.getAverageIOverSigma().getValue()
xsDataMOSFLMIntegrationStatisticsProfileFittedPartials = xsDataMOSFLMIntegrationStatisticsProfileFitted.getPartials()
strNumberProfileFittedPartials += "%7d" % xsDataMOSFLMIntegrationStatisticsProfileFittedPartials.getNumberOfReflections().getValue()
strAverageIntensityProfileFittedPartials += "%7.0f" % xsDataMOSFLMIntegrationStatisticsProfileFittedPartials.getAverageIntensity().getValue()
strAverageIOverSigmaProfileFittedPartials += "%7.1f" % xsDataMOSFLMIntegrationStatisticsProfileFittedPartials.getAverageIOverSigma().getValue()
strResolution += " Overall"
self.addExecutiveSummaryLine(strResolution)
strNumberProfileFittedFullyRecorded += "%8d" % xsDataMOSFLMOutputIntegration.getOverallStatistics().getProfileFitted().getFullyRecorded().getNumberOfReflections().getValue()
strAverageIntensityProfileFittedFullyRecorded += "%8.0f" % xsDataMOSFLMOutputIntegration.getOverallStatistics().getProfileFitted().getFullyRecorded().getAverageIntensity().getValue()
strAverageIOverSigmaProfileFittedFullyRecorded += "%8.1f" % xsDataMOSFLMOutputIntegration.getOverallStatistics().getProfileFitted().getFullyRecorded().getAverageIOverSigma().getValue()
strNumberProfileFittedPartials += "%8d" % xsDataMOSFLMOutputIntegration.getOverallStatistics().getProfileFitted().getPartials().getNumberOfReflections().getValue()
strAverageIntensityProfileFittedPartials += "%8.0f" % xsDataMOSFLMOutputIntegration.getOverallStatistics().getProfileFitted().getPartials().getAverageIntensity().getValue()
strAverageIOverSigmaProfileFittedPartials += "%8.1f" % xsDataMOSFLMOutputIntegration.getOverallStatistics().getProfileFitted().getPartials().getAverageIOverSigma().getValue()
if (iNumberOfFullyRecordedReflections > 0):
self.addExecutiveSummaryLine("Profile fitted fully recorded:")
self.addExecutiveSummaryLine(strNumberProfileFittedFullyRecorded)
self.addExecutiveSummaryLine(strAverageIntensityProfileFittedFullyRecorded)
self.addExecutiveSummaryLine(strAverageIOverSigmaProfileFittedFullyRecorded)
self.addExecutiveSummaryLine("Profile fitted partials:")
self.addExecutiveSummaryLine(strNumberProfileFittedPartials)
self.addExecutiveSummaryLine(strAverageIntensityProfileFittedPartials)
#self.addExecutiveSummaryLine( strAverageSigmaProfileFittedPartials )
self.addExecutiveSummaryLine(strAverageIOverSigmaProfileFittedPartials)
self.addExecutiveSummaryLine("")
self.addExecutiveSummaryLine("Path to MTZ file : %s" % xsDataMOSFLMOutputIntegration.getGeneratedMTZFile().getPath().getValue())
def generateExecutiveSummary(self, _edPlugin):
"""
Generates a summary of the execution of the plugin.
"""
EDPluginMOSFLMv10.generateExecutiveSummary(self, _edPlugin)
EDVerbose.DEBUG("EDPluginMOSFLMIndexingv10.createDataMOSFLMOutputIndexing")
xsDataMOSFLMInputIndexing = self.getDataInput()
xsDataMOSFLMOutputIndexing = self.getDataOutput()
if not self.isFailure():
self.addExecutiveSummaryLine("Execution of MOSFLM indexing successful.")
self.addExecutiveSummaryLine("Image directory : %s" % xsDataMOSFLMInputIndexing.getDirectory().getValue())
self.addExecutiveSummaryLine("Image template : %s" % xsDataMOSFLMInputIndexing.getTemplate().getValue())
strImagesUsed = "Images used in indexing : "
for xsDataMOSFLMImage in xsDataMOSFLMInputIndexing.getImage():
strImagesUsed += "%3d" % xsDataMOSFLMImage.getNumber().getValue()
self.addExecutiveSummaryLine(strImagesUsed)
if (xsDataMOSFLMInputIndexing.getSymmetry() is not None):
self.addExecutiveSummaryLine("Target symmetry : %s" % xsDataMOSFLMInputIndexing.getSymmetry().getValue())
self.addExecutiveSummaryLine("")
if (xsDataMOSFLMOutputIndexing is not None):
self.addExecutiveSummaryLine("")
self.addExecutiveSummaryLine("List of possible solutions (index, penalty, lattice and cell):")
iSelectedSolutionNumber = xsDataMOSFLMOutputIndexing.getSelectedSolutionNumber().getValue()
# Add all solutions with penalty < 100 + 1 solution with penalty > 100
bAddSolution = False
listMOSFLMOutputIndexing = xsDataMOSFLMOutputIndexing.getPossibleSolutions()
iNumberOfSolutions = len(listMOSFLMOutputIndexing)
for i in range(iNumberOfSolutions):
iPenalty = listMOSFLMOutputIndexing[i].getPenalty().getValue()
if (i < (iNumberOfSolutions - 1)):
iPenaltyNext = listMOSFLMOutputIndexing[i + 1].getPenalty().getValue()
if ((iPenalty >= 100) and (iPenaltyNext <= 100)):
bAddSolution = True
if (bAddSolution):
iIndex = listMOSFLMOutputIndexing[i].getIndex().getValue()
xsDataCell = listMOSFLMOutputIndexing[i].getCell()
strLattice = listMOSFLMOutputIndexing[i].getLattice().getValue()
strPossibleSolution = "%3d %4d %2s %6.2f %6.2f %6.2f %6.2f %6.2f %6.2f" % \
(iIndex, iPenalty, strLattice, \
xsDataCell.getLength_a().getValue(),
xsDataCell.getLength_b().getValue(),
xsDataCell.getLength_c().getValue(),
xsDataCell.getAngle_alpha().getValue(),
xsDataCell.getAngle_beta().getValue(),
xsDataCell.getAngle_gamma().getValue(),
)
self.addExecutiveSummaryLine(strPossibleSolution)
iPenaltyOld = iPenalty
self.addExecutiveSummaryLine("")
self.addExecutiveSummaryLine("Choosen solution number : %14d" % iSelectedSolutionNumber)
strSelectedSpaceGroup = xsDataMOSFLMOutputIndexing.getSelectedSolutionSpaceGroup().getValue()
self.addExecutiveSummaryLine("Selected space group : %14s" % (strSelectedSpaceGroup))
xsDataCellRefined = xsDataMOSFLMOutputIndexing.getRefinedNewmat().getRefinedCell()
self.addExecutiveSummaryLine("Refined cell : %6.2f %7.2f %7.2f %5.1f %5.1f %5.1f" % (\
xsDataCellRefined.getLength_a().getValue(),
xsDataCellRefined.getLength_b().getValue(),
xsDataCellRefined.getLength_c().getValue(),
xsDataCellRefined.getAngle_alpha().getValue(),
xsDataCellRefined.getAngle_beta().getValue(),
xsDataCellRefined.getAngle_gamma().getValue()
))
iSpotsTotal = xsDataMOSFLMOutputIndexing.getSpotsTotal().getValue()
iSpotsUsed = xsDataMOSFLMOutputIndexing.getSpotsUsed().getValue()
self.addExecutiveSummaryLine("Number of spots used : %14d " % (iSpotsUsed))
self.addExecutiveSummaryLine("Number of spots total : %14d " % (iSpotsTotal))
fDeviationPositional = xsDataMOSFLMOutputIndexing.getDeviationPositional().getValue()
fDeviationAngular = xsDataMOSFLMOutputIndexing.getDeviationAngular().getValue()
self.addExecutiveSummaryLine("Spot deviation positional : %14.2f [mm]" % (fDeviationPositional))
self.addExecutiveSummaryLine("Spot deviation angular : %14.2f [degrees]" % (fDeviationAngular))
fBeamshiftX = xsDataMOSFLMOutputIndexing.getBeamShift().getX().getValue()
fBeamshiftY = xsDataMOSFLMOutputIndexing.getBeamShift().getY().getValue()
self.addExecutiveSummaryLine("Beam shift (X, Y) : %6.3f, %6.3f [mm]" % \
(fBeamshiftX, fBeamshiftY))
fMosaicityEstimated = xsDataMOSFLMOutputIndexing.getMosaicityEstimation().getValue()
self.addExecutiveSummaryLine("Estimated mosaicity : %14.2f [degrees]" % fMosaicityEstimated)
def generateExecutiveSummary(self, _edPlugin):
"""
Generates a summary of the execution of the plugin.
"""
EDPluginMOSFLMv10.generateExecutiveSummary(self, _edPlugin)
self.DEBUG("EDPluginMOSFLMIntegrationv10.createDataMOSFLMOutputIndexing")
xsDataMOSFLMInputIntegration = self.getDataInput()
xsDataMOSFLMOutputIntegration = self.getDataOutput()
if xsDataMOSFLMOutputIntegration.getNumberOfFullyRecordedReflections() is not None:
self.addExecutiveSummaryLine("Execution of MOSFLM integration successful.")
self.addExecutiveSummaryLine("Image directory : %s" % xsDataMOSFLMInputIntegration.getDirectory().getValue())
self.addExecutiveSummaryLine("Image template : %s" % xsDataMOSFLMInputIntegration.getTemplate().getValue())
self.addExecutiveSummaryLine("Image start : %4d" % xsDataMOSFLMInputIntegration.getImageStart().getValue())
self.addExecutiveSummaryLine("Image end : %4d" % xsDataMOSFLMInputIntegration.getImageEnd().getValue())
fRotationAxisStart = xsDataMOSFLMInputIntegration.getRotationAxisStart().getValue()
fOscillationWidth = xsDataMOSFLMInputIntegration.getOscillationWidth().getValue()
self.addExecutiveSummaryLine("Rotation axis start : %4.1f [degrees]" % fRotationAxisStart)
self.addExecutiveSummaryLine("Rotation axis end : %4.1f [degrees]" % (fRotationAxisStart + fOscillationWidth))
self.addExecutiveSummaryLine("")
iNumberOfFullyRecordedReflections = xsDataMOSFLMOutputIntegration.getNumberOfFullyRecordedReflections().getValue()
self.addExecutiveSummaryLine("Number of fully recorded reflections : %5d" % iNumberOfFullyRecordedReflections)
self.addExecutiveSummaryLine("Number of partials : %5d" % xsDataMOSFLMOutputIntegration.getNumberOfPartialReflections().getValue())
self.addExecutiveSummaryLine("Number of overlapped reflections : %5d" % xsDataMOSFLMOutputIntegration.getNumberOfOverlappedReflections().getValue())
self.addExecutiveSummaryLine("Number of reflections with negative intensity : %5d" % xsDataMOSFLMOutputIntegration.getNumberOfNegativeReflections().getValue())
self.addExecutiveSummaryLine("Number of bad reflections : %5d" % xsDataMOSFLMOutputIntegration.getNumberOfBadReflections().getValue())
self.addExecutiveSummaryLine("")
self.addExecutiveSummaryLine("RMS spot deviation : %5.3f [mm]" % xsDataMOSFLMOutputIntegration.getRMSSpotDeviation().getValue())
self.addExecutiveSummaryLine("Average I/sigma overall : %5.1f" % xsDataMOSFLMOutputIntegration.getOverallIOverSigma().getValue())
self.addExecutiveSummaryLine("Average I/sigma at highest resolution : %5.1f" % xsDataMOSFLMOutputIntegration.getHighestResolutionIOverSigma().getValue())
self.addExecutiveSummaryLine("")
self.addExecutiveSummaryLine("Analysis as a function of resolution:")
strResolution = "Res (Ang) "
strNumberProfileFittedFullyRecorded = "Number "
strAverageIntensityProfileFittedFullyRecorded = " <I> "
strAverageIOverSigmaProfileFittedFullyRecorded = " <I/sigma>"
strNumberProfileFittedPartials = "Number "
strAverageIntensityProfileFittedPartials = " <I> "
strAverageIOverSigmaProfileFittedPartials = " <I/sigma>"
for xsDataMOSFLMIntegrationStatisticsPerResolutionBin in xsDataMOSFLMOutputIntegration.getStatisticsPerResolutionBin():
fMaxResolution = xsDataMOSFLMIntegrationStatisticsPerResolutionBin.getMaxResolution().getValue()
strResolution += "%7.2f" % fMaxResolution
xsDataMOSFLMIntegrationStatisticsProfileFitted = xsDataMOSFLMIntegrationStatisticsPerResolutionBin.getProfileFitted()
xsDataMOSFLMIntegrationStatisticsProfileFittedFullyRecorded = xsDataMOSFLMIntegrationStatisticsProfileFitted.getFullyRecorded()
strNumberProfileFittedFullyRecorded += "%7d" % xsDataMOSFLMIntegrationStatisticsProfileFittedFullyRecorded.getNumberOfReflections().getValue()
strAverageIntensityProfileFittedFullyRecorded += "%7.0f" % xsDataMOSFLMIntegrationStatisticsProfileFittedFullyRecorded.getAverageIntensity().getValue()
strAverageIOverSigmaProfileFittedFullyRecorded += "%7.1f" % xsDataMOSFLMIntegrationStatisticsProfileFittedFullyRecorded.getAverageIOverSigma().getValue()
xsDataMOSFLMIntegrationStatisticsProfileFittedPartials = xsDataMOSFLMIntegrationStatisticsProfileFitted.getPartials()
strNumberProfileFittedPartials += "%7d" % xsDataMOSFLMIntegrationStatisticsProfileFittedPartials.getNumberOfReflections().getValue()
strAverageIntensityProfileFittedPartials += "%7.0f" % xsDataMOSFLMIntegrationStatisticsProfileFittedPartials.getAverageIntensity().getValue()
strAverageIOverSigmaProfileFittedPartials += "%7.1f" % xsDataMOSFLMIntegrationStatisticsProfileFittedPartials.getAverageIOverSigma().getValue()
strResolution += " Overall"
self.addExecutiveSummaryLine(strResolution)
strNumberProfileFittedFullyRecorded += "%8d" % xsDataMOSFLMOutputIntegration.getOverallStatistics().getProfileFitted().getFullyRecorded().getNumberOfReflections().getValue()
strAverageIntensityProfileFittedFullyRecorded += "%8.0f" % xsDataMOSFLMOutputIntegration.getOverallStatistics().getProfileFitted().getFullyRecorded().getAverageIntensity().getValue()
strAverageIOverSigmaProfileFittedFullyRecorded += "%8.1f" % xsDataMOSFLMOutputIntegration.getOverallStatistics().getProfileFitted().getFullyRecorded().getAverageIOverSigma().getValue()
strNumberProfileFittedPartials += "%8d" % xsDataMOSFLMOutputIntegration.getOverallStatistics().getProfileFitted().getPartials().getNumberOfReflections().getValue()
strAverageIntensityProfileFittedPartials += "%8.0f" % xsDataMOSFLMOutputIntegration.getOverallStatistics().getProfileFitted().getPartials().getAverageIntensity().getValue()
strAverageIOverSigmaProfileFittedPartials += "%8.1f" % xsDataMOSFLMOutputIntegration.getOverallStatistics().getProfileFitted().getPartials().getAverageIOverSigma().getValue()
if (iNumberOfFullyRecordedReflections > 0):
self.addExecutiveSummaryLine("Profile fitted fully recorded:")
self.addExecutiveSummaryLine(strNumberProfileFittedFullyRecorded)
self.addExecutiveSummaryLine(strAverageIntensityProfileFittedFullyRecorded)
self.addExecutiveSummaryLine(strAverageIOverSigmaProfileFittedFullyRecorded)
self.addExecutiveSummaryLine("Profile fitted partials:")
self.addExecutiveSummaryLine(strNumberProfileFittedPartials)
self.addExecutiveSummaryLine(strAverageIntensityProfileFittedPartials)
#self.addExecutiveSummaryLine( strAverageSigmaProfileFittedPartials )
self.addExecutiveSummaryLine(strAverageIOverSigmaProfileFittedPartials)
self.addExecutiveSummaryLine("")
self.addExecutiveSummaryLine("Path to MTZ file : %s" % xsDataMOSFLMOutputIntegration.getGeneratedMTZFile().getPath().getValue())
def generateExecutiveSummary(self, _edPlugin):
"""
Generates a summary of the execution of the plugin.
"""
EDPluginMOSFLMv10.generateExecutiveSummary(self, _edPlugin)
self.DEBUG("EDPluginMOSFLMIndexingv10.createDataMOSFLMOutputIndexing")
xsDataMOSFLMInputIndexing = self.getDataInput()
xsDataMOSFLMOutputIndexing = self.getDataOutput()
if not self.isFailure():
self.addExecutiveSummaryLine(
"Execution of MOSFLM indexing successful.")
self.addExecutiveSummaryLine(
"Image directory : %s" %
xsDataMOSFLMInputIndexing.getDirectory().getValue())
self.addExecutiveSummaryLine(
"Image template : %s" %
xsDataMOSFLMInputIndexing.getTemplate().getValue())
strImagesUsed = "Images used in indexing : "
for xsDataMOSFLMImage in xsDataMOSFLMInputIndexing.getImage():
strImagesUsed += "%5d" % xsDataMOSFLMImage.getNumber().getValue()
self.addExecutiveSummaryLine(strImagesUsed)
if (xsDataMOSFLMInputIndexing.getSymmetry() is not None):
self.addExecutiveSummaryLine(
"Target symmetry : %s" %
xsDataMOSFLMInputIndexing.getSymmetry().getValue())
self.addExecutiveSummaryLine("")
if (xsDataMOSFLMOutputIndexing is not None):
self.addExecutiveSummaryLine("")
self.addExecutiveSummaryLine(
"List of possible solutions (index, penalty, lattice and cell):"
)
iSelectedSolutionNumber = xsDataMOSFLMOutputIndexing.getSelectedSolutionNumber(
).getValue()
# Add all solutions with penalty < 100 + 1 solution with penalty > 100
bAddSolution = False
listMOSFLMOutputIndexing = xsDataMOSFLMOutputIndexing.getPossibleSolutions(
)
iNumberOfSolutions = len(listMOSFLMOutputIndexing)
for i in range(iNumberOfSolutions):
iPenalty = listMOSFLMOutputIndexing[i].getPenalty().getValue()
if (i < (iNumberOfSolutions - 1)):
iPenaltyNext = listMOSFLMOutputIndexing[
i + 1].getPenalty().getValue()
if ((iPenalty >= 100) and (iPenaltyNext <= 100)):
bAddSolution = True
if (bAddSolution):
iIndex = listMOSFLMOutputIndexing[i].getIndex().getValue()
xsDataCell = listMOSFLMOutputIndexing[i].getCell()
strLattice = listMOSFLMOutputIndexing[i].getLattice(
).getValue()
strPossibleSolution = "%3d %4d %2s %6.2f %6.2f %6.2f %6.2f %6.2f %6.2f" % \
(iIndex, iPenalty, strLattice, \
xsDataCell.getLength_a().getValue(),
xsDataCell.getLength_b().getValue(),
xsDataCell.getLength_c().getValue(),
xsDataCell.getAngle_alpha().getValue(),
xsDataCell.getAngle_beta().getValue(),
xsDataCell.getAngle_gamma().getValue(),
)
self.addExecutiveSummaryLine(strPossibleSolution)
iPenaltyOld = iPenalty
self.addExecutiveSummaryLine("")
self.addExecutiveSummaryLine("Choosen solution number : %14d" %
iSelectedSolutionNumber)
strSelectedSpaceGroup = xsDataMOSFLMOutputIndexing.getSelectedSolutionSpaceGroup(
).getValue()
self.addExecutiveSummaryLine("Selected space group : %14s" %
(strSelectedSpaceGroup))
xsDataCellRefined = xsDataMOSFLMOutputIndexing.getRefinedNewmat(
).getRefinedCell()
self.addExecutiveSummaryLine("Refined cell : %6.2f %7.2f %7.2f %5.1f %5.1f %5.1f" % (\
xsDataCellRefined.getLength_a().getValue(),
xsDataCellRefined.getLength_b().getValue(),
xsDataCellRefined.getLength_c().getValue(),
xsDataCellRefined.getAngle_alpha().getValue(),
xsDataCellRefined.getAngle_beta().getValue(),
xsDataCellRefined.getAngle_gamma().getValue()
))
iSpotsTotal = xsDataMOSFLMOutputIndexing.getSpotsTotal().getValue()
iSpotsUsed = xsDataMOSFLMOutputIndexing.getSpotsUsed().getValue()
self.addExecutiveSummaryLine("Number of spots used : %14d " %
(iSpotsUsed))
self.addExecutiveSummaryLine("Number of spots total : %14d " %
(iSpotsTotal))
fDeviationPositional = xsDataMOSFLMOutputIndexing.getDeviationPositional(
).getValue()
fDeviationAngular = xsDataMOSFLMOutputIndexing.getDeviationAngular(
).getValue()
self.addExecutiveSummaryLine(
"Spot deviation positional : %14.2f [mm]" %
(fDeviationPositional))
self.addExecutiveSummaryLine(
"Spot deviation angular : %14.2f [degrees]" %
(fDeviationAngular))
fBeamshiftX = xsDataMOSFLMOutputIndexing.getBeamShift().getX(
).getValue()
fBeamshiftY = xsDataMOSFLMOutputIndexing.getBeamShift().getY(
).getValue()
self.addExecutiveSummaryLine("Beam shift (X, Y) : %6.3f, %6.3f [mm]" % \
(fBeamshiftX, fBeamshiftY))
fMosaicityEstimated = xsDataMOSFLMOutputIndexing.getMosaicityEstimation(
).getValue()
self.addExecutiveSummaryLine(
"Estimated mosaicity : %14.2f [degrees]" %
fMosaicityEstimated)
