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Introduction to Applied Statistical Analysis. A practical course for handling datasets. Statistical analysis. T he science of collecting, exploring and presenting large amounts of data to discover underlying patterns and trends The first step is basic exploratory data analysis

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introduction to applied statistical analysis

IntroductiontoAppliedStatisticalAnalysis

A practicalcourseforhandlingdatasets

statistical analysis
Statisticalanalysis
  • The science of collecting, exploring and presenting large amounts of data to discover underlying patterns and trends
  • The firststep is basicexploratorydataanalysis
  • B.E.D.A. has two main roles:
  • 1. todefinebasicstatisticalvalues
  • 2. tovisualizedata
everyday statistics
Everydaystatistics

(youcanfindotherfactsat http://www.tylervigen.com/)

softwares for statistical analysis
Softwaresforstatisticalanalysis
  • Open sourcestatisticalpackages
  • Public domainstatisticalpackages
  • Freeware statisticalpackages
  • Proprietarystatisticalpackages (e.g. OriginPro)
  • Microsoft Excel is notforthispurpose!
why we don t use microsoft excel for analysis
Whywedon’t use Microsoft Excel foranalysis?
  • Basic functionsand formulas(forgettingaverageanddeviation)
  • Data visualizationwithgraphs and diagrams
  • Seemsimpressive (withgraphicalsettings)
  • Mathematicallyinaccurate (I’ll show you)
  • Scientificcontentcan be hardlypresentedinsomecases
  • AnalysisToolPak is needed
  • This program wasnotdevelopedfordataanalysis
practice session objectives for origin
Practice session: objectivesforOrigin
  • Objective 1. statisticalanalysis, basicplotrepresentations (curve, column, waterfall), linear and nonlinearcurvefitting, BoxPlot
  • Objective 2. histogram, distributioncurve, scatterplot, Q-Q plot, axisvaluesettings, colourcodemodifications
  • Objective 3. makingenthalpyprofile, solid vs. dashed line, otheraxisproperties, adding text tograph
  • Objective 4. datasetconversiontomatrix, matrixrepresentationwithdifferentsurfacetechniques

+ Graph export topicture (atthe end, foreveryobjectives)

objective 1
Objective 1
  • Statisticalanalysis, basicplotrepresentations (curve, column, waterfall), linear and nonlinearcurvefitting, BoxPlot
  • Dataset: vibrationalfrequencies of opiorphin (QRFSR), inallits epimers
  • Forfitting: rotation of Asn
objective 2
Objective 2
  • Histogram, distributioncurve, scatterplot, Q-Q plot, axisvaluesettings, colourcodemodifications
  • Dataset: potentialenergies (in kcal/mol), radii of gyration and number of H-bondsin opiorphin epimers
objective 3
Objective 3
  • Makingenthalpyprofile, solid vs. dashed line, otheraxisproperties, adding text tograph
  • Dataset: enthalpies (in kJ/mol) forthereactionsystem of HCN + OH radical
objective 4
Objective 4
  • Datasetconversiontomatrix, matrixrepresentationwithdifferentsurfaces
  • Dataset: χ1, χ2and ∆rE(inhartree)