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Chemistry Teaching Labs
  • Home
  • Techniques
    • Basic Techniques
      • Lab book
        • General aspects of lab book use
        • What to write in your lab book
        • Reagent Tables
        • Exemplars
      • Assembling glassware
        • Location
        • Clamping
        • Stirring & heating
        • Videos (Assembling glassware)
      • Weighing & Measuring
        • Weighing solids
        • Using a measuring cylinder
        • Adding material to a flask
        • Videos (Weighing and measuring)
      • Pasteur Pipettes
        • Using a Pasteur pipette
        • Videos (Using a Pasteur pipette)
      • Cleaning glassware
    • Reaction Techniques
      • Reflux
        • Setting up a reflux
        • Videos (Reflux)
      • Thin Layer Chromatography
        • General procedure
        • Visualising plates
        • Determining a solvent system
        • Issues
        • Videos (TLC)
      • Filtration
        • Vacuum Filtration
          • Sinter filtration
          • Buchner filtration
          • Hirsch Funnel
          • Receiving flasks
          • Videos (Vacuum Filtration)
        • Gravity Filtration
        • Microscale Filtration
        • Active Filtration
      • Aqueous Workup
        • Theory of Aqueous Workup
        • Extractions vs Washes
        • Using a separatory funnel
        • Problems with extractions
        • Videos (Workup)
      • Removing residual water from organic solutions
      • Rotary evaporators
        • Models and Instructions
        • Videos (Rotary evaporator)
      • Cooling
      • Greasing joints
        • When to use grease
        • Applying grease
        • Videos (Greasing joints)
    • Purification
      • Recrystallisation
        • Solvent Choice
        • Single-solvents
        • Mixed-solvents
        • Mother liquors
        • Problems with Recrystallisations
        • Videos (Recrystallisation)
      • Distillation
        • Mini-distillation
        • Fractional distillation
        • Steam distillation
        • Distillation Condensers
        • Videos (Distillation)
      • Flash Column Chromatography
        • Determining suitable separation conditions
        • Preparing & loading the column
        • Running & identifying fractions
        • Cleaning up
        • Videos (Flash Column Chromatography)
      • Microcolumns
        • Procedure (Microcolumns)
        • Videos (Microcolumns)
      • Solid Phase Extraction
        • Procedure (SPE)
        • Videos (SPE)
    • Quantification
      • Volumetric glassware
        • Types of Pipettes
        • Using pipettes
        • Preparing solutions from Solids
        • Preparing solutions via dilution
        • Videos (Volumetric glassware)
      • Micropipetting
        • When to Use Micropipettes
        • Micropipetting Technique
        • Hints & tips
        • Videos (Micropipetting)
    • Air Sensitive
      • Balloons & Septa
        • Step by step process for purging a flask
        • Videos (Balloons & Septa)
      • Needles & syringes
        • Measuring volumes using needles and syringes under a modified atmosphere
        • Measuring volumes using needles and syringes from an open bottle
        • Videos (Needles & syringes)
      • Using oven dried glassware
      • Schlenk Lines
        • The Schlenk line
        • Schlenk safety
        • Schlenk flasks
          • Schlenk flask: assembly
        • Schlenk: other glassware and equipment
        • Schlenks: greasing
        • Schlenk line: setup
        • Schlenk line: periodic checks
        • Schlenk line: shutdown
        • Schlenk: purging
        • Schlenk: adding solids
        • Schlenk: adding liquids & solvents
        • Schlenk: Cleaning
        • Schlenk: reflux under an inert atmosphere
        • Schlenk: cannula transfer
        • Schlenk: cannula filtration
        • Schlenk: solvent removal
        • Schlenk: Residual solvent removal
        • Schlenk: Solvent degassing under nitrogen
        • Schlenk: Freeze-thaw degassing
        • Schlenk: Flame drying
        • Schlenk: videos
      • Glove boxes
      • Gas lines for spectroscopy
        • Gas Sources
        • Line Setup
        • Filling IR cells
        • Emptying IR Cells and Shutdown
      • Modified atmosphere gas flows
        • Nitrogen bubbler setup
        • Common Problems
        • Bubbler video
      • Drying Tubes
      • Degassing solvents
    • Specialist
      • Soxhlet Extraction
        • Soxhlet: Theory
        • Soxhlet: Setup
      • Kjeldahl
        • Kjeldahl Digestion
        • Kjeldahl Distillation
      • Dean-Stark
        • Dean Stark Trap
        • Reverse Dean Stark Trap
      • Soldering
  • Instrumentation
    • Accessing instrument data
      • Access
        • Webfiles
        • SFTP
        • SMB
      • Instrument types
        • Walk up
        • Sample submission
      • File formats
        • Portable Document Format
        • Reprocessable formats
        • Raw data
        • Proprietary formats
    • Infrared Spectroscopy
      • Attenuated Total Reflectance (ATR)
        • ATR: Data recording
      • Transmission IR
      • Bruker Alpha II
      • Perkin Elmer Spectrum 2
    • UV-Visible Spectroscopy
      • Thermo Genesis 180
      • Jenway 7415
      • Compact Photometers
      • Shimadzu UV-2600
      • Shimadzu UV-1800
    • NMR Spectroscopy
      • Preparing an NMR sample
      • Sample submission (NMR)
      • NMR experiments
      • Recording an NMR
      • Accessing data (NMR)
      • Bruker AVIII300NB UltraShield
    • Melting Point Apparatus
      • Melting point: Recording a range
      • Melting point: Common issues
      • Digimelt MPA161
      • Stuart SMP20
      • Stuart SMP30
      • Stuart SMP3
      • Gallenkamp MFB 595 010M
    • Gas Chromatography
      • ATI Unicam 610 GC
      • Thermo Trace 1300 GC
      • Agilent 6850 GC
      • Methods
    • High Performance Liquid Chromatography
      • Jasco
      • Agilent
      • Methods
    • Fluorimetry
      • Shimadzu RF-5301
    • Stopped-Flow
      • Stopped-Flow Apparatus
    • pH Determination
      • Jenway 3505
    • Microscopy
      • Olympus BX40 Microscope
    • Viscometry
      • Brookfield RVDV-E Viscometer
    • Cyclic Voltammetry
      • PalmSens EmStat3
    • Magnetic Susceptibility
      • Sherwood Scientific Magnetic Susceptibility Balance Mk 1
    • Mass Spectrometry
      • MS: Ionisation methods
    • Single Crystal X-ray Diffraction
      • scXRD: Instrument guide
      • scXRD: Growing single crystals
      • scXRD: Identifying suitable crystals
      • scXRD: Crystal gallery
      • scXRD: Mounting single crystals
      • scXRD: Data acquisition
      • scXRD: Structure solving
      • scXRD: Rigaku XtaLAB Synergy
    • 3D Printing
      • Bambu Labs H2D
      • 3D printing of scXRD structures
      • 3D printing gallery
    • Chromatography Service
    • Elemental Analysis
  • Data Analysis & Reporting
    • Analytical Techniques
      • IR spectroscopy
        • Interpretation of ATR-IR spectra
        • IR frequency table
      • UV-vis spectroscopy
      • NMR spectroscopy
      • Mass spectrometry
      • Single Crystal XRD
        • scXRD: Unit cell parameters
      • Melting point range analysis
    • Data manipulation
      • Reaction metrics
        • Reaction metrics: Yield
        • Reaction metrics: Atom economy
        • Reaction metrics: Process Mass Intensity
        • Reaction metrics: Worked example comparing metrics
        • Reaction metrics: Multistep reactions
      • Regression
        • Linear regression
        • Non-linear regression
      • Spreadsheets
    • Programming in Python
      • Executing python scripts
      • Graphs and Regression
      • Advanced graphs
      • Mass spectrometry isotope patterns
      • File format conversions
      • Photometer practical
    • Scientific Communication
      • Presentations
      • Abbreviations
      • Inserting Symbols
      • Referencing
      • ORCID
      • Style Guide
    • Software
      • ChemDraw
      • Mercury
      • Spectrus
  • The Lab
    • Laboratory
      • Main Laboratory
      • Instrument Room
      • Foyer
      • Prep Room
      • Accessibility
      • 3D Tour
      • Staff
    • Equipment
      • Fume Hood Lockers
      • Service Beams
      • Around the Lab
    • Glassware
      • General
      • Specialist
      • Joints, Adapters and Keck Clips
  • Sources of information
    • University
    • Journals
    • Suppliers and procurement
    • Databases
    • Youtube Channel
  • Safety
    • Risk Assessments
    • PPE
    • Waste Disposal
    • Fire and Fire Alarms
    • Accident Response
    • ChemSafety
  • Submission Hub
    • NMR
      • NMR Results
    • HPLC
      • HPLC Results
    • GC
      • GC results
    • Single Crystal XRD
    • Mass Spec
    • Elemental Analysis
  • Research Orientated Undergraduate Taught Experiments
    • 2024-2025
Chemistry Teaching Labs
  • Home
  • Techniques
    • Basic Techniques
      • Lab book
        • General aspects of lab book use
        • What to write in your lab book
        • Reagent Tables
        • Exemplars
      • Assembling glassware
        • Location
        • Clamping
        • Stirring & heating
        • Videos (Assembling glassware)
      • Weighing & Measuring
        • Weighing solids
        • Using a measuring cylinder
        • Adding material to a flask
        • Videos (Weighing and measuring)
      • Pasteur Pipettes
        • Using a Pasteur pipette
        • Videos (Using a Pasteur pipette)
      • Cleaning glassware
    • Reaction Techniques
      • Reflux
        • Setting up a reflux
        • Videos (Reflux)
      • Thin Layer Chromatography
        • General procedure
        • Visualising plates
        • Determining a solvent system
        • Issues
        • Videos (TLC)
      • Filtration
        • Vacuum Filtration
          • Sinter filtration
          • Buchner filtration
          • Hirsch Funnel
          • Receiving flasks
          • Videos (Vacuum Filtration)
        • Gravity Filtration
        • Microscale Filtration
        • Active Filtration
      • Aqueous Workup
        • Theory of Aqueous Workup
        • Extractions vs Washes
        • Using a separatory funnel
        • Problems with extractions
        • Videos (Workup)
      • Removing residual water from organic solutions
      • Rotary evaporators
        • Models and Instructions
        • Videos (Rotary evaporator)
      • Cooling
      • Greasing joints
        • When to use grease
        • Applying grease
        • Videos (Greasing joints)
    • Purification
      • Recrystallisation
        • Solvent Choice
        • Single-solvents
        • Mixed-solvents
        • Mother liquors
        • Problems with Recrystallisations
        • Videos (Recrystallisation)
      • Distillation
        • Mini-distillation
        • Fractional distillation
        • Steam distillation
        • Distillation Condensers
        • Videos (Distillation)
      • Flash Column Chromatography
        • Determining suitable separation conditions
        • Preparing & loading the column
        • Running & identifying fractions
        • Cleaning up
        • Videos (Flash Column Chromatography)
      • Microcolumns
        • Procedure (Microcolumns)
        • Videos (Microcolumns)
      • Solid Phase Extraction
        • Procedure (SPE)
        • Videos (SPE)
    • Quantification
      • Volumetric glassware
        • Types of Pipettes
        • Using pipettes
        • Preparing solutions from Solids
        • Preparing solutions via dilution
        • Videos (Volumetric glassware)
      • Micropipetting
        • When to Use Micropipettes
        • Micropipetting Technique
        • Hints & tips
        • Videos (Micropipetting)
    • Air Sensitive
      • Balloons & Septa
        • Step by step process for purging a flask
        • Videos (Balloons & Septa)
      • Needles & syringes
        • Measuring volumes using needles and syringes under a modified atmosphere
        • Measuring volumes using needles and syringes from an open bottle
        • Videos (Needles & syringes)
      • Using oven dried glassware
      • Schlenk Lines
        • The Schlenk line
        • Schlenk safety
        • Schlenk flasks
          • Schlenk flask: assembly
        • Schlenk: other glassware and equipment
        • Schlenks: greasing
        • Schlenk line: setup
        • Schlenk line: periodic checks
        • Schlenk line: shutdown
        • Schlenk: purging
        • Schlenk: adding solids
        • Schlenk: adding liquids & solvents
        • Schlenk: Cleaning
        • Schlenk: reflux under an inert atmosphere
        • Schlenk: cannula transfer
        • Schlenk: cannula filtration
        • Schlenk: solvent removal
        • Schlenk: Residual solvent removal
        • Schlenk: Solvent degassing under nitrogen
        • Schlenk: Freeze-thaw degassing
        • Schlenk: Flame drying
        • Schlenk: videos
      • Glove boxes
      • Gas lines for spectroscopy
        • Gas Sources
        • Line Setup
        • Filling IR cells
        • Emptying IR Cells and Shutdown
      • Modified atmosphere gas flows
        • Nitrogen bubbler setup
        • Common Problems
        • Bubbler video
      • Drying Tubes
      • Degassing solvents
    • Specialist
      • Soxhlet Extraction
        • Soxhlet: Theory
        • Soxhlet: Setup
      • Kjeldahl
        • Kjeldahl Digestion
        • Kjeldahl Distillation
      • Dean-Stark
        • Dean Stark Trap
        • Reverse Dean Stark Trap
      • Soldering
  • Instrumentation
    • Accessing instrument data
      • Access
        • Webfiles
        • SFTP
        • SMB
      • Instrument types
        • Walk up
        • Sample submission
      • File formats
        • Portable Document Format
        • Reprocessable formats
        • Raw data
        • Proprietary formats
    • Infrared Spectroscopy
      • Attenuated Total Reflectance (ATR)
        • ATR: Data recording
      • Transmission IR
      • Bruker Alpha II
      • Perkin Elmer Spectrum 2
    • UV-Visible Spectroscopy
      • Thermo Genesis 180
      • Jenway 7415
      • Compact Photometers
      • Shimadzu UV-2600
      • Shimadzu UV-1800
    • NMR Spectroscopy
      • Preparing an NMR sample
      • Sample submission (NMR)
      • NMR experiments
      • Recording an NMR
      • Accessing data (NMR)
      • Bruker AVIII300NB UltraShield
    • Melting Point Apparatus
      • Melting point: Recording a range
      • Melting point: Common issues
      • Digimelt MPA161
      • Stuart SMP20
      • Stuart SMP30
      • Stuart SMP3
      • Gallenkamp MFB 595 010M
    • Gas Chromatography
      • ATI Unicam 610 GC
      • Thermo Trace 1300 GC
      • Agilent 6850 GC
      • Methods
    • High Performance Liquid Chromatography
      • Jasco
      • Agilent
      • Methods
    • Fluorimetry
      • Shimadzu RF-5301
    • Stopped-Flow
      • Stopped-Flow Apparatus
    • pH Determination
      • Jenway 3505
    • Microscopy
      • Olympus BX40 Microscope
    • Viscometry
      • Brookfield RVDV-E Viscometer
    • Cyclic Voltammetry
      • PalmSens EmStat3
    • Magnetic Susceptibility
      • Sherwood Scientific Magnetic Susceptibility Balance Mk 1
    • Mass Spectrometry
      • MS: Ionisation methods
    • Single Crystal X-ray Diffraction
      • scXRD: Instrument guide
      • scXRD: Growing single crystals
      • scXRD: Identifying suitable crystals
      • scXRD: Crystal gallery
      • scXRD: Mounting single crystals
      • scXRD: Data acquisition
      • scXRD: Structure solving
      • scXRD: Rigaku XtaLAB Synergy
    • 3D Printing
      • Bambu Labs H2D
      • 3D printing of scXRD structures
      • 3D printing gallery
    • Chromatography Service
    • Elemental Analysis
  • Data Analysis & Reporting
    • Analytical Techniques
      • IR spectroscopy
        • Interpretation of ATR-IR spectra
        • IR frequency table
      • UV-vis spectroscopy
      • NMR spectroscopy
      • Mass spectrometry
      • Single Crystal XRD
        • scXRD: Unit cell parameters
      • Melting point range analysis
    • Data manipulation
      • Reaction metrics
        • Reaction metrics: Yield
        • Reaction metrics: Atom economy
        • Reaction metrics: Process Mass Intensity
        • Reaction metrics: Worked example comparing metrics
        • Reaction metrics: Multistep reactions
      • Regression
        • Linear regression
        • Non-linear regression
      • Spreadsheets
    • Programming in Python
      • Executing python scripts
      • Graphs and Regression
      • Advanced graphs
      • Mass spectrometry isotope patterns
      • File format conversions
      • Photometer practical
    • Scientific Communication
      • Presentations
      • Abbreviations
      • Inserting Symbols
      • Referencing
      • ORCID
      • Style Guide
    • Software
      • ChemDraw
      • Mercury
      • Spectrus
  • The Lab
    • Laboratory
      • Main Laboratory
      • Instrument Room
      • Foyer
      • Prep Room
      • Accessibility
      • 3D Tour
      • Staff
    • Equipment
      • Fume Hood Lockers
      • Service Beams
      • Around the Lab
    • Glassware
      • General
      • Specialist
      • Joints, Adapters and Keck Clips
  • Sources of information
    • University
    • Journals
    • Suppliers and procurement
    • Databases
    • Youtube Channel
  • Safety
    • Risk Assessments
    • PPE
    • Waste Disposal
    • Fire and Fire Alarms
    • Accident Response
    • ChemSafety
  • Submission Hub
    • NMR
      • NMR Results
    • HPLC
      • HPLC Results
    • GC
      • GC results
    • Single Crystal XRD
    • Mass Spec
    • Elemental Analysis
  • Research Orientated Undergraduate Taught Experiments
    • 2024-2025
  • More
    • Home
    • Techniques
      • Basic Techniques
        • Lab book
          • General aspects of lab book use
          • What to write in your lab book
          • Reagent Tables
          • Exemplars
        • Assembling glassware
          • Location
          • Clamping
          • Stirring & heating
          • Videos (Assembling glassware)
        • Weighing & Measuring
          • Weighing solids
          • Using a measuring cylinder
          • Adding material to a flask
          • Videos (Weighing and measuring)
        • Pasteur Pipettes
          • Using a Pasteur pipette
          • Videos (Using a Pasteur pipette)
        • Cleaning glassware
      • Reaction Techniques
        • Reflux
          • Setting up a reflux
          • Videos (Reflux)
        • Thin Layer Chromatography
          • General procedure
          • Visualising plates
          • Determining a solvent system
          • Issues
          • Videos (TLC)
        • Filtration
          • Vacuum Filtration
            • Sinter filtration
            • Buchner filtration
            • Hirsch Funnel
            • Receiving flasks
            • Videos (Vacuum Filtration)
          • Gravity Filtration
          • Microscale Filtration
          • Active Filtration
        • Aqueous Workup
          • Theory of Aqueous Workup
          • Extractions vs Washes
          • Using a separatory funnel
          • Problems with extractions
          • Videos (Workup)
        • Removing residual water from organic solutions
        • Rotary evaporators
          • Models and Instructions
          • Videos (Rotary evaporator)
        • Cooling
        • Greasing joints
          • When to use grease
          • Applying grease
          • Videos (Greasing joints)
      • Purification
        • Recrystallisation
          • Solvent Choice
          • Single-solvents
          • Mixed-solvents
          • Mother liquors
          • Problems with Recrystallisations
          • Videos (Recrystallisation)
        • Distillation
          • Mini-distillation
          • Fractional distillation
          • Steam distillation
          • Distillation Condensers
          • Videos (Distillation)
        • Flash Column Chromatography
          • Determining suitable separation conditions
          • Preparing & loading the column
          • Running & identifying fractions
          • Cleaning up
          • Videos (Flash Column Chromatography)
        • Microcolumns
          • Procedure (Microcolumns)
          • Videos (Microcolumns)
        • Solid Phase Extraction
          • Procedure (SPE)
          • Videos (SPE)
      • Quantification
        • Volumetric glassware
          • Types of Pipettes
          • Using pipettes
          • Preparing solutions from Solids
          • Preparing solutions via dilution
          • Videos (Volumetric glassware)
        • Micropipetting
          • When to Use Micropipettes
          • Micropipetting Technique
          • Hints & tips
          • Videos (Micropipetting)
      • Air Sensitive
        • Balloons & Septa
          • Step by step process for purging a flask
          • Videos (Balloons & Septa)
        • Needles & syringes
          • Measuring volumes using needles and syringes under a modified atmosphere
          • Measuring volumes using needles and syringes from an open bottle
          • Videos (Needles & syringes)
        • Using oven dried glassware
        • Schlenk Lines
          • The Schlenk line
          • Schlenk safety
          • Schlenk flasks
            • Schlenk flask: assembly
          • Schlenk: other glassware and equipment
          • Schlenks: greasing
          • Schlenk line: setup
          • Schlenk line: periodic checks
          • Schlenk line: shutdown
          • Schlenk: purging
          • Schlenk: adding solids
          • Schlenk: adding liquids & solvents
          • Schlenk: Cleaning
          • Schlenk: reflux under an inert atmosphere
          • Schlenk: cannula transfer
          • Schlenk: cannula filtration
          • Schlenk: solvent removal
          • Schlenk: Residual solvent removal
          • Schlenk: Solvent degassing under nitrogen
          • Schlenk: Freeze-thaw degassing
          • Schlenk: Flame drying
          • Schlenk: videos
        • Glove boxes
        • Gas lines for spectroscopy
          • Gas Sources
          • Line Setup
          • Filling IR cells
          • Emptying IR Cells and Shutdown
        • Modified atmosphere gas flows
          • Nitrogen bubbler setup
          • Common Problems
          • Bubbler video
        • Drying Tubes
        • Degassing solvents
      • Specialist
        • Soxhlet Extraction
          • Soxhlet: Theory
          • Soxhlet: Setup
        • Kjeldahl
          • Kjeldahl Digestion
          • Kjeldahl Distillation
        • Dean-Stark
          • Dean Stark Trap
          • Reverse Dean Stark Trap
        • Soldering
    • Instrumentation
      • Accessing instrument data
        • Access
          • Webfiles
          • SFTP
          • SMB
        • Instrument types
          • Walk up
          • Sample submission
        • File formats
          • Portable Document Format
          • Reprocessable formats
          • Raw data
          • Proprietary formats
      • Infrared Spectroscopy
        • Attenuated Total Reflectance (ATR)
          • ATR: Data recording
        • Transmission IR
        • Bruker Alpha II
        • Perkin Elmer Spectrum 2
      • UV-Visible Spectroscopy
        • Thermo Genesis 180
        • Jenway 7415
        • Compact Photometers
        • Shimadzu UV-2600
        • Shimadzu UV-1800
      • NMR Spectroscopy
        • Preparing an NMR sample
        • Sample submission (NMR)
        • NMR experiments
        • Recording an NMR
        • Accessing data (NMR)
        • Bruker AVIII300NB UltraShield
      • Melting Point Apparatus
        • Melting point: Recording a range
        • Melting point: Common issues
        • Digimelt MPA161
        • Stuart SMP20
        • Stuart SMP30
        • Stuart SMP3
        • Gallenkamp MFB 595 010M
      • Gas Chromatography
        • ATI Unicam 610 GC
        • Thermo Trace 1300 GC
        • Agilent 6850 GC
        • Methods
      • High Performance Liquid Chromatography
        • Jasco
        • Agilent
        • Methods
      • Fluorimetry
        • Shimadzu RF-5301
      • Stopped-Flow
        • Stopped-Flow Apparatus
      • pH Determination
        • Jenway 3505
      • Microscopy
        • Olympus BX40 Microscope
      • Viscometry
        • Brookfield RVDV-E Viscometer
      • Cyclic Voltammetry
        • PalmSens EmStat3
      • Magnetic Susceptibility
        • Sherwood Scientific Magnetic Susceptibility Balance Mk 1
      • Mass Spectrometry
        • MS: Ionisation methods
      • Single Crystal X-ray Diffraction
        • scXRD: Instrument guide
        • scXRD: Growing single crystals
        • scXRD: Identifying suitable crystals
        • scXRD: Crystal gallery
        • scXRD: Mounting single crystals
        • scXRD: Data acquisition
        • scXRD: Structure solving
        • scXRD: Rigaku XtaLAB Synergy
      • 3D Printing
        • Bambu Labs H2D
        • 3D printing of scXRD structures
        • 3D printing gallery
      • Chromatography Service
      • Elemental Analysis
    • Data Analysis & Reporting
      • Analytical Techniques
        • IR spectroscopy
          • Interpretation of ATR-IR spectra
          • IR frequency table
        • UV-vis spectroscopy
        • NMR spectroscopy
        • Mass spectrometry
        • Single Crystal XRD
          • scXRD: Unit cell parameters
        • Melting point range analysis
      • Data manipulation
        • Reaction metrics
          • Reaction metrics: Yield
          • Reaction metrics: Atom economy
          • Reaction metrics: Process Mass Intensity
          • Reaction metrics: Worked example comparing metrics
          • Reaction metrics: Multistep reactions
        • Regression
          • Linear regression
          • Non-linear regression
        • Spreadsheets
      • Programming in Python
        • Executing python scripts
        • Graphs and Regression
        • Advanced graphs
        • Mass spectrometry isotope patterns
        • File format conversions
        • Photometer practical
      • Scientific Communication
        • Presentations
        • Abbreviations
        • Inserting Symbols
        • Referencing
        • ORCID
        • Style Guide
      • Software
        • ChemDraw
        • Mercury
        • Spectrus
    • The Lab
      • Laboratory
        • Main Laboratory
        • Instrument Room
        • Foyer
        • Prep Room
        • Accessibility
        • 3D Tour
        • Staff
      • Equipment
        • Fume Hood Lockers
        • Service Beams
        • Around the Lab
      • Glassware
        • General
        • Specialist
        • Joints, Adapters and Keck Clips
    • Sources of information
      • University
      • Journals
      • Suppliers and procurement
      • Databases
      • Youtube Channel
    • Safety
      • Risk Assessments
      • PPE
      • Waste Disposal
      • Fire and Fire Alarms
      • Accident Response
      • ChemSafety
    • Submission Hub
      • NMR
        • NMR Results
      • HPLC
        • HPLC Results
      • GC
        • GC results
      • Single Crystal XRD
      • Mass Spec
      • Elemental Analysis
    • Research Orientated Undergraduate Taught Experiments
      • 2024-2025

Programming in Python

Getting started with Python

Simple graphs and regression lines

Advanced graphs

Isotope patterns for Mass Spec

File format conversions

Photometer lab practical

Advanced graphs

Python and its libraries can produce a wide range of graphs of different types. In this section, there are a example scripts which produce a few different types, using data taken from Y3 MChem Mini-projects. These are intended to be relatively simple scripts, and give you a starting point for creating your own graphs with your own data.


To download the script and data needed to create the relevant plot, right click in the link and click "Save Link As...". Before drawing a plot, it is important to consider what type of plot is best for the data and what you are trying to communicate.


These scripts all use the matplotlib library; other Python libraries such as seaborn and plotly can also be used to produce advanced graphs.


Please contact alan.m.lewis@york.ac.uk with any questions, corrections or suggestions!

Multiple series scatter plot

Plotting multiple sets of data is a common way to visualise similarities and differences between related datasets, such as data collected at different temperatures, or for different but similar molecules. Scatter plots can be better than line plots when the data is noisy.


scatter_multiline.py ↓ (GitHub)


The example plot on the right is created using the data below; it shows how the concentration of different amino acids changes over time when ostrich eggshell is heated at 80℃.


Example data (CSV) ↓


For more details, try the matplotlib documentation for scatter graphs.

Plots with errorbars

When data has significant uncertainty in a measurement or calculation, it is important communicate both the average value of the data and the associated uncertainty. Adding error bars around each data point is the most common way to do this.


errorbar.py ↓ (GitHub)


The example plot on the right is created using the data files below; it shows how the ozone concentration as emissions of VOCs from different sources vary.


Example data 1 ↓

Example data 2 ↓

Example data 3 ↓


For more details, try the matplotlib documentation for graphs with error bars.

Bar Chart

A bar chart is a very simple way of conveying data. It is often used to highlight differences in average values under different conditions.


bar.py ↓ (GitHub)


The example plot on the right is created using the data below; it shows the average yield of a certain reaction when two different bases are used.


Example data (CSV) ↓


For more details, try the matplotlib documentation for bar charts.

Box Plot

A box plot displays information about the distribution of a set of data, including the median value, the inter-quartile range (the range covered by the middle 50% of the data) and the extent of the outliers.


boxplot.py ↓ (GitHub)


The example plot on the right is created using the same data as the bar chart (linked below as well); it shows the distribution of yields of a certain reaction when two different bases are used. Comparing this to the bar chart above, we see a graph which is takes slightly longer to read, but also contains much more information.


Example data (CSV) ↓


For more details, try the matplotlib documentation for box plots.

Histograms

Histograms are used to show the distribution of continuous data, in more fine detail than a box plot would. The raw data is grouped into "bins", and the histogram shows the number of values which fall into each bin.


histogram.py ↓ (GitHub)


The example plot on the right is created using the data below; it shows the distribution of Oleic Acid content as a percentage of the total fatty acid content in a range of olive oils.


Example data (CSV) ↓


For more details, try the matplotlib documentation for histograms.

Pie Charts

Pie charts can only be used to show proportions of a whole. If you have a large number of small contributions to the whole, it is often a good idea to group them together into larger categories, or into an "Other" category if some large contributions are also present.


pie.py ↓ (GitHub)


The example plot on the right is created using the same data as the histogram (linked below as well); it shows the average makeup of fatty acid content in a range of olive oils.


Example data (CSV) ↓


For more details, try the matplotlib documentation for pie charts.

Contour Plot

Contour plots allow three-dimensional data to displayed, when the data contains two independent variables (on the x- and y-axes), and a dependent variable, whose value is indicated by the choice of colour.


contour.py ↓ (GitHub)


The example plot on the right is created using the data below; it shows the relative activity of an enzyme as a percentage of the maximum activity as a function of both temperature and pH.


Example data ↓


For more details, try the matplotlib documentation for contour plots.

Multiplots

It can be helpful to create multiple graphs in one figure. This requires similar, but slightly more advanced Python syntax. This example shows two bar charts in one figure, but multiplots can be composed of any types of plot. This is also an example of a more advanced bar chart, with multiple bars associated with each value on the x axis.


multiplot.py ↓ (GitHub)


The example plot on the right is created using the data files linked below; it shows the clearing and melting temperatures of organic liquid crystals with different numbers of carbon atoms in the cation, and different counter-anions.


Example data 1 (CSV) ↓

Example data 2 (CSV) ↓


For more details, try the matplotlib guides for creating subplots and grouped bar charts.

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