# Import pandas using the alias, pd
import pandas as pd
# Read in the metadata
metadata = pd.read_csv("../data/mouse_exp_design.csv")
# Print out the metadata
metadatapandas DataFrames
This lesson teaches how to use pandas DataFrames in Python to load tabular data, inspect and subset rows and columns, create new variables and summarize data.
Pandas tutorial, CSV, Excel
Approximate time: XX minutes
Learning Objectives
In this lesson, we will:
- Load and inspect data in a
PandasDataFrame - Subset and index DataFrames in different ways
- Add new columns to a DataFrame based on existing data
- Perform useful operations on DataFrames to summarize and manipulate data
Overview of lesson
Real-life data are oftentimes represented in the forms of tables of data, matrices of gene expression or Excel spreadsheets of patient data. pandas DataFrames are Python’s way of processing and representing this tabular data so you can clean, filter and summarize it efficiently. DataFrames enable you to do tasks, such as quickly finding all samples from a particular condition, computing summary statistics or preparing a clean table for plotting. In this lesson, you will practice loading data into DataFrames and performing common operations that mirror how you would explore a dataset in a spreadsheet, but with far more control and reproducibility.
Downloading Data
First, we will download the datasets we will be working with in this lesson which is a metadata file containing information about a biological dataset.
You can download the data folder here by:
- Right-clicking the link and selecting “Save Link As…” to download the file to your computer.
- After downloading the file, place it in the
datafolder within the project directory - Unzip the file to extract its contents.
Pandas Library
The Pandas library is a powerful tool for data wrangling and analysis in Python. It provides useful data structures and functions needed to handle tables of data, like Excel spreadsheets. The primary data structures of note in Pandas are Series and DataFrames.
Pandas and NumPy
Pandas is built on top of the NumPy library which in practice means that most of the methods defined for NumPy Arrays also apply to Pandas data structures.
This library is widely used in data science and machine learning fields for tasks such as data cleaning, transformation and analysis. It provides a comprehensive set of functions for handling and manipulating data and can handle large datasets efficiently.
Loading a Datasets
Within the Pandas library, there are built-in functions to load datasets from various file formats, such as CSV (comma separated values) or Excel files (.xlsx). The most commonly used function for loading data is pandas.read_csv(), which allows you to read a CSV file and create a DataFrame with the data.
When working with a large dataset, you will very likely work with a “metadata” file which contains the information about each sample in your dataset. The metadata is very important information and we encourage you to think about creating a document with as much metadata you can record before you bring the data into Python. Here is some additional reading on metadata from the HMS Data Management Working Group.
We have a file in which we identify information about the data, called metadata. Our metadata is also stored in a CSV file. In this file, each row corresponds to a sample and each column contains some information about each sample.
genotype celltype replicate
sample1 Wt typeA 1
sample2 Wt typeA 2
sample3 Wt typeA 3
sample4 KO typeA 1
sample5 KO typeA 2
sample6 KO typeA 3
sample7 Wt typeB 1
sample8 Wt typeB 2
sample9 Wt typeB 3
sample10 KO typeB 1
sample11 KO typeB 2
sample12 KO typeB 3
The first column contains the row names and the remaining columns contain information about our samples that we can use to categorize them. For example, the second column contains genotype information for each sample. Each sample is classified in one of two categories: Wt (wild type) or KO (knockout). What types of categories do you observe in the remaining columns?
This metadata describes the samples in our study. Each row holds information for a single sample and the columns contain categorical information about the sample genotype (WT or KO), celltype (typeA or typeB) and replicate number (1, 2 or 3).
Inspecting the DataFrame
There are a wide selection of base tools in Python that are useful for inspecting your data and summarizing it. Let’s use the metadata file that we created to test out data inspection tools
For example, we can use the shape attribute to check the dimensions of our DataFrame, which will tell us how many rows and columns it contains:
# Retrieve the dimensions of metadata
metadata.shape(12, 3)
.shape
The .shape attribute returns the number of rows and columns in the DataFrame. The first element is the number of rows, while the second element is the number of columns.
We do not use parentheses after .shape because it is an attribute of the DataFrame, not a method/function. In contrast, methods require parentheses to be called, even when they do not take any arguments (e.g., metadata.head()).
If we had a larger file, we may not want to display all the contents in the console. Instead we could check the top (the first 6 lines) of this data.frame using the function head():
head() function
# INspect the first 6 rows of metadata
metadata.head() genotype celltype replicate
sample1 Wt typeA 1
sample2 Wt typeA 2
sample3 Wt typeA 3
sample4 KO typeA 1
sample5 KO typeA 2
Have not made exercises for the entire lesson
- Print the last 6 lines of the metadata DataFrame using
tail()function. - A followup question to question #1
- …
Indexing and Subsetting DataFrames
When we need to access specific elements of a DataFrame, we commonly use indexing and subsetting techniques. DataFrames can be indexed using both numerical indices and labels (row names and column names).
Both are useful for different purposes. Numerical indexing is often more concise and can be faster for certain operations, while label-based indexing can be more intuitive and easier to read, especially when working with large datasets with meaningful row and column names.
Subsetting DataFrames with Indices
We can use the iloc method (which stands for “integer location”) to access specific elements of a DataFrame by using numerical indexing. This method allows us to access rows and columns by their indices.
If we wanted to extract the wild type (Wt) value that is present in the first row and the first column.
- To extract it we first use the name of the dataframe that we want to extract from, followed by the
ilocmethod with square brackets (metadata.iloc[ ]). - Inside the square brackets we add the coordinates or indices for the rows in which the value(s) are present, then followed by a comma, and then the coordinates or indices for the columns in which the value(s) are present (
metadata.iloc[rows, columns]).
We know the wild type value is in the first row if we count from the top, so we put a zero followed by a comma. The wild type value is also in the first column (counting from left to right as usual), so we put a zero in the columns space too.
# Extract the value in the first row and first column
metadata.iloc[0, 0]'Wt'
Now we will extract the value 1 from the first row and third column.
# Extract the value in the first row and third column
metadata.iloc[0, 2]np.int64(1)
Now if you only wanted to select values based on rows, you would provide the index for the rows and leave the columns index blank (except for a colon, which stands for all columns). The key here is to include the comma, to let Python know that you are still accessing a 2-dimensional data structure:
# Extract the first row
metadata.iloc[0, :]genotype Wt
celltype typeA
replicate 1
Name: sample1, dtype: object
What kind of data structure does the output appear to be? It looks slightly different from the original DataFrame, but it still has the column names from before. Let us use the type() function to check the data structure of this output:
type(metadata.iloc[0, :])<class 'pandas.Series'>
This is a Series data structure, which is a one-dimensional array with row names. The reason we get a Series instead of a DataFrame is because we are selecting a single row from the DataFrame. Python will output a list-like object as the simplest data structure.
If you were selecting specific columns from the DataFrame - the rows are left blank:
# Extract the first column
metadata.iloc[:, 0]sample1 Wt
sample2 Wt
sample3 Wt
sample4 KO
sample5 KO
sample6 KO
sample7 Wt
sample8 Wt
sample9 Wt
sample10 KO
sample11 KO
sample12 KO
Name: genotype, dtype: str
Same as before, we get a Series data structure because we are selecting a single column from the DataFrame.
Oftentimes we would like to keep our single column as a DataFrame. We use the to_frame() method to convert a Series to a DataFrame:
to_frame() method.
# Extract the first column and convert it to a DataFrame
metadata.iloc[:, 0].to_frame() genotype
sample1 Wt
sample2 Wt
sample3 Wt
sample4 KO
sample5 KO
sample6 KO
sample7 Wt
sample8 Wt
sample9 Wt
sample10 KO
sample11 KO
sample12 KO
Slicing DataFrames
Like with vectors, you can select multiple rows and columns at a time. Within the square brackets, you need to provide a vector of the desired values.
We can extract consecutive rows or columns using the colon (:) to create the vector of indices to extract.
# Extract the first three rows and every column
metadata.iloc[0:3, :] genotype celltype replicate
sample1 Wt typeA 1
sample2 Wt typeA 2
sample3 Wt typeA 3
Alternatively, we could use the list of indices [] to extract any number of rows or columns. Let’s extract the first, third and sixth rows.
# Extract the first, third and sixth rows
metadata.iloc[[0, 2, 5], :] genotype celltype replicate
sample1 Wt typeA 1
sample3 Wt typeA 3
sample6 KO typeA 3
Subsetting DataFrames with Labels
When we work with larger datasets, it can be tricky to remember the column number that corresponds to a particular variable. (Is celltype in column 1 or 2?). The column/row number for values can also change if you use a script that adds or removes columns/rows. Therefore, it’s often better to use column/row names to refer to extract particular values which makes your code easier to read and your intentions clearer.
So first we will look at the attributes to retrieve our row names (index) and column names (columns) from our DataFrame:
# Get the row names
metadata.indexIndex(['sample1', 'sample2', 'sample3', 'sample4', 'sample5', 'sample6',
'sample7', 'sample8', 'sample9', 'sample10', 'sample11', 'sample12'],
dtype='str')
# Get the column names
metadata.columnsIndex(['genotype', 'celltype', 'replicate'], dtype='str')
Now that we know the row and column names, we can use them to subset our data. We can use the loc method (which stands for “location”) to access specific elements of a DataFrame using label-based indexing. This method allows us to access rows and columns by their labels. For example, we can extract the first three samples by using the following code:
# Extract the first three samples for the celltype column
metadata.loc[["sample1", "sample2", "sample3"], "celltype"]sample1 typeA
sample2 typeA
sample3 typeA
Name: celltype, dtype: str
We can mix and match label-based and numerical indexing. For example, we can start by using label-based indexing to select the column we want and then use numerical indexing to select the first three samples from that column:
# Extract the first three samples for the celltype column
metadata.iloc[0:3]["celltype"]sample1 typeA
sample2 typeA
sample3 typeA
Name: celltype, dtype: str
It’s important to type the names of the columns/rows in the exact way that they are typed in the DataFrame; for instance if I had spelled celltype with a capital C, the line of code would not have worked.
# Extract the first three samples for the Celltype column
metadata.iloc[0:2]["Celltype"] # Celltype column incorrectKeyError: 'Celltype'
We can also directly access a column without the loc method by using the column name as an attribute of the DataFrame. For example, to access the celltype column, we can use the following code:
# Access the celltype column directly
metadata["celltype"]sample1 typeA
sample2 typeA
sample3 typeA
sample4 typeA
sample5 typeA
sample6 typeA
sample7 typeB
sample8 typeB
sample9 typeB
sample10 typeB
sample11 typeB
sample12 typeB
Name: celltype, dtype: str
Subsetting DataFrames with Logical Expressions
We can use logical expressions with DataFrames to extract the rows or columns in the DataFrame by using specific values. First, we need to determine the indices in the rows or columns where a logical expression is True, then we can extract those rows or columns from the DataFrame.
For example, if we want to only return the rows of the DataFrame with the celltype column with a value of typeA, we would perform the following two steps:
- Identify which rows in the celltype column have a value of
typeA. - Use those
Truevalues to extract those rows from the DataFrame.
# Create a boolean mask for rows where celltype is "typeA"
metadata["celltype"] == "typeA"sample1 True
sample2 True
sample3 True
sample4 True
sample5 True
sample6 True
sample7 False
sample8 False
sample9 False
sample10 False
sample11 False
sample12 False
Name: celltype, dtype: bool
This will output True and False values for the values in the vector. The first six values are True and the last six are False. This means the first six rows of our metadata have a value of typeA while the last six do not. We can save these values to a variable, which we can name whatever we would like; let’s call it logical_idx.
# Create a boolean mask for rows where celltype is "typeA"
logical_idx = metadata["celltype"] == "typeA"
# Subset the DataFrame to return only rows where celltype is "typeA"
metadata[logical_idx] genotype celltype replicate
sample1 Wt typeA 1
sample2 Wt typeA 2
sample3 Wt typeA 3
sample4 KO typeA 1
sample5 KO typeA 2
sample6 KO typeA 3
We can use those True and False values to extract the rows that correspond to the True values from the metadata DataFrame. The result is a dataframe that only contains rows where the celltype is typeA.
- A question to evaluate Learning Objective 2
- A followup question to question #1
- …
Adding New Columns
Now that we know how to access specific values in a DataFrame, we can also add new columns to our data. You will often need to create new variables based on the information in your DataFrame or to add new information to your DataFrame.
Adding a New Column with the Same Value
We could want to add a new column to our metadata that specifies that the species for each of our samples is mus musculus. When the value is the same across all the rows, we can simply create a new column and assign whichever value we want to that column:
species) to the metadata DataFrame with the same value for all rows.
# Add a new column for species
metadata["species"] = "mus musculus"
metadata genotype celltype replicate species
sample1 Wt typeA 1 mus musculus
sample2 Wt typeA 2 mus musculus
sample3 Wt typeA 3 mus musculus
sample4 KO typeA 1 mus musculus
sample5 KO typeA 2 mus musculus
sample6 KO typeA 3 mus musculus
sample7 Wt typeB 1 mus musculus
sample8 Wt typeB 2 mus musculus
sample9 Wt typeB 3 mus musculus
sample10 KO typeB 1 mus musculus
sample11 KO typeB 2 mus musculus
sample12 KO typeB 3 mus musculus
Adding a New Column with Conditional Values
We can also conditionally add data to new columns depending on other data within the dataframe. For example, if all the mice in replicate 1 were female and those that were not in replicate 1 were male, we can create a new column with sex and make corresponding assignments using the loc method.
We are going to do this in three steps:
- Create the column
sexand initialize it with a default value ofNone.
None
None is a special value in Python that represents the absence of a value or a null value. It is often used to indicate that a variable has no value or that a function does not return anything. In this case, we are initializing the sex column with None to indicate that there are no values in the column.
sex) in the metadata DataFrame with a default value of None.
# Add a new column for sex
metadata["sex"] = None
# Print the metadata DataFrame
metadata genotype celltype replicate species sex
sample1 Wt typeA 1 mus musculus None
sample2 Wt typeA 2 mus musculus None
sample3 Wt typeA 3 mus musculus None
sample4 KO typeA 1 mus musculus None
sample5 KO typeA 2 mus musculus None
sample6 KO typeA 3 mus musculus None
sample7 Wt typeB 1 mus musculus None
sample8 Wt typeB 2 mus musculus None
sample9 Wt typeB 3 mus musculus None
sample10 KO typeB 1 mus musculus None
sample11 KO typeB 2 mus musculus None
sample12 KO typeB 3 mus musculus None
- We assign the value
femaleto rows where the replicate column has a value of1. We do this with thelocmethod, which allows us to only access rows that meet our condition and then specify the column (sex) where we want to assign the valuefemale.
# Assign "female" to rows where replicate is 1
metadata.loc[metadata["replicate"] == 1, "sex"] = "female"
# Print the metadata DataFrame
print(metadata) genotype celltype replicate species sex
sample1 Wt typeA 1 mus musculus female
sample2 Wt typeA 2 mus musculus None
sample3 Wt typeA 3 mus musculus None
sample4 KO typeA 1 mus musculus female
sample5 KO typeA 2 mus musculus None
sample6 KO typeA 3 mus musculus None
sample7 Wt typeB 1 mus musculus female
sample8 Wt typeB 2 mus musculus None
sample9 Wt typeB 3 mus musculus None
sample10 KO typeB 1 mus musculus female
sample11 KO typeB 2 mus musculus None
sample12 KO typeB 3 mus musculus None
- Assign the value
maleto rows where the replicate column has a value other than1.
# Assign "male" to rows where replicate is not 1
metadata.loc[metadata["replicate"] != 1, "sex"] = "male"
# Print the metadata DataFrame
print(metadata) genotype celltype replicate species sex
sample1 Wt typeA 1 mus musculus female
sample2 Wt typeA 2 mus musculus male
sample3 Wt typeA 3 mus musculus male
sample4 KO typeA 1 mus musculus female
sample5 KO typeA 2 mus musculus male
sample6 KO typeA 3 mus musculus male
sample7 Wt typeB 1 mus musculus female
sample8 Wt typeB 2 mus musculus male
sample9 Wt typeB 3 mus musculus male
sample10 KO typeB 1 mus musculus female
sample11 KO typeB 2 mus musculus male
sample12 KO typeB 3 mus musculus male
Calculating New Columns
We can also create new columns by performing calculations on existing columns. For example, we can create a new column called replicate_squared that contains the square of the values in the replicate column.
replicate_squared) that contains the square of the values in the replicate column.
# Create a new column for the square of the replicate number
metadata["replicate_squared"] = metadata["replicate"] ** 2
# Print the metadata DataFrame
print(metadata) genotype celltype replicate species sex replicate_squared
sample1 Wt typeA 1 mus musculus female 1
sample2 Wt typeA 2 mus musculus male 4
sample3 Wt typeA 3 mus musculus male 9
sample4 KO typeA 1 mus musculus female 1
sample5 KO typeA 2 mus musculus male 4
sample6 KO typeA 3 mus musculus male 9
sample7 Wt typeB 1 mus musculus female 1
sample8 Wt typeB 2 mus musculus male 4
sample9 Wt typeB 3 mus musculus male 9
sample10 KO typeB 1 mus musculus female 1
sample11 KO typeB 2 mus musculus male 4
sample12 KO typeB 3 mus musculus male 9
We can even take the cumulative sum across multiple columns to create a new column. For example, we can create a new column called replicate_sum that contains the sum of the values in the replicate and replicate_squared columns for each row.
replicate_sum) that contains the sum of the values in the replicate and replicate_squared columns.
# Create a new column for the sum of replicate and replicate_squared
metadata["replicate_sum"] = metadata["replicate"] + metadata["replicate_squared"]
# Print the metadata DataFrame
print(metadata) genotype celltype replicate ... sex replicate_squared replicate_sum
sample1 Wt typeA 1 ... female 1 2
sample2 Wt typeA 2 ... male 4 6
sample3 Wt typeA 3 ... male 9 12
sample4 KO typeA 1 ... female 1 2
sample5 KO typeA 2 ... male 4 6
sample6 KO typeA 3 ... male 9 12
sample7 Wt typeB 1 ... female 1 2
sample8 Wt typeB 2 ... male 4 6
sample9 Wt typeB 3 ... male 9 12
sample10 KO typeB 1 ... female 1 2
sample11 KO typeB 2 ... male 4 6
sample12 KO typeB 3 ... male 9 12
[12 rows x 7 columns]
We can apply any range of mathematical operations to create new columns based on data that already exists in the DataFrame.
Useful DataFrame Operations
The Pandas library is filled with useful functions to wrangle dataframes. Here, we will continue to cover some useful functions that are commonly used, but a more comprehensive cheatsheet of Pandas functions can be found on the official website.
value_counts()
One way to quickly summarize the contents of a DataFrame is by using value_counts(), which counts the number of times a particular value appears in a column. We can use this function to count the number of samples that belong to each genotype category:
# Retrieve the distribution of values in the genotype column
metadata["genotype"].value_counts()genotype
Wt 6
KO 6
Name: count, dtype: int64
Now we know how many samples are classified as WT and how many are classified as KO in our dataset.
Subsection 3B
- A question to evaluate Learning Objective 3
- A followup question to question #1
- …