TOPIC1(19.03.2020)(Jonas1.0)

Topic 1
Presentation of Data and Analysis
Prof. Dr. Christopher W. M. Kay
Physikalische Chemie und Didaktik der Chemie
Universität des Saarlandes

Topic 1
Presentation of Data and Analysis
What is Physical Chemistry ?
Electrons and Photons
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
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Topic 1
Presentation of Data and Analysis
What is Physical Chemistry ?
Electrons and Photons
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
3 / 46

Topic 1
Presentation of Data and Analysis
What is Physical Chemistry ?
Electrons and Photons
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
4 / 46

Topic 1
Presentation of Data and Analysis
What is Physical Chemistry ?
Electrons and Photons
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
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Topic 1
Presentation of Data and Analysis
About me...
◮ University of Oxford, Master’s Degree in Chemistry, 1986-1990
◮ Physical Chemistry Laboratory, University of Oxford, 1990-1993
PhD. Light-induced free radical reactions: EPR and magnetic fields
◮ Experimentalphysik, Freie Universität Berlin Gastwissenschaftler,
1993-1997; Wissenschaftlicher Mitarbeiter, 1997-2005
◮ Structural and Molecular Biology and London Centre for
Nanotechnology, University College London Senior Lecturer , 2006 –
2011; Reader, 2011 – 2014; Professor, 2014 – 2017
◮ London Centre for Nanotechnology, University College London (UCL)
Professor, 2017 –
◮ Physikalische Chemie und Didaktik der Chemie, Universität des
Saarlandes Professor, 2017 –
March 27, 2020
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Topic 1
Presentation of Data and Analysis
What do we do in Physical Chemistry?
◮ Observation → Question
◮ Measure → Quantify
◮ Plot data → Visualise
◮ Build a Model → Simulations
Computers and Programming
◮ Result → Understand the
Observation
share, publish, present, patent
...English...
How do we get there?
PC01
PC02
PC03
PC-G
PC04
PC05
PC-F
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
7 / 46

Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
8 / 46

Topic 1
Presentation of Data and Analysis
What do we do in Physical Chemistry?
◮ Observation → Question
◮ Measure → Quantify
◮ Plot data →Visualise
◮ Build a Model → Simulations
Computers and Programming
◮ Result → Understand the
Observation
share, publish, present, patent
...English...
How do we get there?
PC01
PC02
PC03
PC-G
PC04
PC05
PC-F
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
9 / 46

Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Measurements → Resolution Errors
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
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Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Measurements → Resolution Errors
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
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Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Measurements → Resolution Errors
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
12 / 46

Topic 1
Presentation of Data and Analysis
What do we do in Physical Chemistry?
◮ Observation → Question
◮ Measure → Quantify
◮ Plot data → Visualise
◮ Build a Model → Simulations
Computers and Programming
◮ Result → Understand the
Observation
share, publish, present, patent
...English...
How do we get there?
PC01
PC02
PC03
PC-G
PC04
PC05
PC-F
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
13 / 46

Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Plot your data. Inspect the graph for patterns –correlations
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
14 / 46

Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Plot your data. Inspect the graph for patterns –correlations
RAW Data - Scatter Plot
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
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Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Plot your data. Inspect the graph for patterns–correlations
RAW Data - Scatter Plot: Number, Total, Average
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
16 / 46

Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Plot your data. Inspect the graph for patterns–correlations
RAW Data - Scatter Plot: Number, Total, Average
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
17 / 46

Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Plot your data. Inspect the graph for patterns–correlations
RAW Data - Scatter Plot: Total and Maximum
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
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Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Plot your data. Inspect the graph for patterns–correlations
RAW Data - Scatter Plot: Ordered
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
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Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Plot your data. Inspect the graph for patterns–correlations
RAW Data - Scatter Plot: Range and Median
The range is the difference between the largest and smallest value
The median is the middle value
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
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Topic 1
Presentation of Data and Analysis
What do we do in Physical Chemistry?
◮ Observation → Question
◮ Measure → Quantify
◮ Plot data → Visualise
◮ Build a Model → Simulations
Computers and Programming
◮ Result → Understand the
Observation
share, publish, present, patent
...English...
How do we get there?
PC01
PC02
PC03
PC-G
PC04
PC05
PC-F
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
21 / 46

Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Pie Chart –Overall graphical Representation
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
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Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Bar Chart: Inspect the graph for Patterns –correlations
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
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Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Bar Chart (stacked): Inspect the graph for Patterns –correlations
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
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Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Bar Chart: Inspect the graph for Patterns –correlations
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
25 / 46

Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Bar Chart (stacked): Inspect the graph for Patterns –correlations
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
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Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Histogram (narrow bins): Inspect the graph for Patterns –correlations
March 27, 2020
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Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Histogram (wide bins): Inspect the graph for Patterns –correlations
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
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Topic 1
Presentation of Data and Analysis
What do we do in Physical Chemistry?
◮ Observation → Question
◮ Measure → Quantify
◮ Plot data → Visualise
◮ Build a Model → Simulations
Computers and Programming
◮ Result → Understand the
Observation
share, publish, present, patent
...English...
How do we get there?
PC01
PC02
PC03
PC-G
PC04
PC05
PC-F
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
29 / 46

Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Plot your Data.Inspect the graph for Patterns –correlations
Pace = 1/Speed
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
30 / 46

Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Plot your Data.Inspect the graph for Patterns –correlations
Pace = 1/Speed - Slow outlier
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
31 / 46

Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Plot your Data.Inspect the graph for Patterns –correlations
Pace = 1/Speed - Slow outlier removed
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
32 / 46

Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Plot your Data.Inspect the graph for Patterns –correlations
Pace = 1/Speed - Fast outlier
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
33 / 46

Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Plot your Data.Inspect the graph for Patterns –correlations
Pace - Ordered
The mean is the average value.
The mode is the most common value.
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
34 / 46

Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Plot your Data.Inspect the graph for Patterns –correlations
Pace = Ordered
The mean is the average value.
The mode is the most common value.
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
35 / 46

Topic 1
Presentation of Data and Analysis
Example: Using an App to monitor my exercise
Plot your Data.Inspect the graph for Patterns –correlations
Pace = Ordered Normal Distribution (Mean, Standard Deviation)
The mean is the average value.
The mode is the most common value.
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
36 / 46

Topic 1
Presentation of Data and Analysis
Aufgabe 1.0
How can I achieve 200 km in 4 weeks?
1 day rest per week (0 km)
1 day run per week (10 km)
20 days for 160 km: 8 km per day
◮ What do I have to do if I miss 4 days ?
◮ What do I have to do if I miss 10 days ?
◮ What do I have to do if I miss 16 days ?
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
37 / 46

Topic 1
Presentation of Data and Analysis
Aufgabe 1.0
How can I achieve 200 km in 4 weeks?
20 days for 160 km: 8 km per day
◮ What do I have to do if I miss 4 days ?
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
38 / 46

Topic 1
Presentation of Data and Analysis
Aufgabe 1.0
How can I achieve 200 km in 4 weeks?
20 days for 160 km: 8 km per day
◮ What do I have to do if I miss 4 days ?
160 km in 16 days: 10 km per day
◮ What do I have to do if I miss 10 days ?
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
38 / 46

Topic 1
Presentation of Data and Analysis
Aufgabe 1.0
How can I achieve 200 km in 4 weeks?
20 days for 160 km: 8 km per day
◮ What do I have to do if I miss 4 days ?
160 km in 16 days: 10 km per day
◮ What do I have to do if I miss 10 days ?
160 km in 10 days: 16 km per day
◮ What do I have to do if I miss 16 days ?
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
38 / 46

Topic 1
Presentation of Data and Analysis
Aufgabe 1.0
How can I achieve 200 km in 4 weeks?
20 days for 160 km: 8 km per day
◮ What do I have to do if I miss 4 days ?
160 km in 16 days: 10 km per day
◮ What do I have to do if I miss 10 days ?
160 km in 10 days: 16 km per day
◮ What do I have to do if I miss 16 days ?
160 km in 4 days: 40 km per day
March 27, 2020
Prof. Dr. Christopher W. M. Kay –
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Topic 1
Presentation of Data and Analysis
Figure: Measurement of Co2 Levels on Mauna Kea
March 27, 2020
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Topic 1
Presentation of Data and Analysis
March 27, 2020
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Topic 1
Presentation of Data and Analysis
March 27, 2020
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Topic 1
Presentation of Data and Analysis
March 27, 2020
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Topic 1
Presentation of Data and Analysis
Experimental Data - Fit = Residual
March 27, 2020
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Topic 1
Presentation of Data and Analysis
Experimental Data - Fit = Residual
March 27, 2020
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Topic 1
Presentation of Data and Analysis
Experimental Data - Fit = Residual
March 27, 2020
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Topic 1 Summary
Presentation of Data and Analysis
YVONNE
March 27, 2020
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