This dataset provides a step-by-step pipeline for preprocessing metabolomics data.

The pipeline implements Probabilistic Quotient Normalization (PQN) to correct dilution effects in metabolomics measurements.

Includes guidance on handling raw metabolomics datasets obtained from LC-MS or NMR experiments.

Demonstrates Principal Component Analysis (PCA) for dimensionality reduction and exploratory data analysis.

Includes data visualization techniques to interpret PCA results effectively.

Suitable for metabolomics researchers and data scientists working on omics data.

Enables better reproducibility of preprocessing workflows for metabolomics studies.

Can be used to normalize data, detect outliers, and identify major patterns in metabolomics datasets.

Provides a Python-based notebook that is easy to adapt to new datasets.

Includes example datasets and code snippets for immediate application.

Helps users understand the impact of normalization on downstream statistical analyses.

Supports integration with other metabolomics pipelines or machine learning workflows.

This artifact accompanies the SEET@ICSE article "Assessing the impact of hints in learning formal specification", which reports on a user study to investigate the impact of different types of automated hints while learning a formal specification language, both in terms of immediate performance and learning retention, but also in the emotional response of the students. This research artifact provides all the material required to replicate this study (except for the proprietary questionnaires passed to assess the emotional response and user experience), as well as the collected data and data analysis scripts used for the discussion in the paper.

Dataset

The artifact contains the resources described below.

Experiment resources

The resources needed for replicating the experiment, namely in directory experiment:

alloy_sheet_pt.pdf: the 1-page Alloy sheet that participants had access to during the 2 sessions of the experiment. The sheet was passed in Portuguese due to the population of the experiment.

alloy_sheet_en.pdf: a version the 1-page Alloy sheet that participants had access to during the 2 sessions of the experiment translated into English.

docker-compose.yml: a Docker Compose configuration file to launch Alloy4Fun populated with the tasks in directory data/experiment for the 2 sessions of the experiment.

api and meteor: directories with source files for building and launching the Alloy4Fun platform for the study.

Experiment data

The task database used in our application of the experiment, namely in directory data/experiment:

Model.json, Instance.json, and Link.json: JSON files with to populate Alloy4Fun with the tasks for the 2 sessions of the experiment.

identifiers.txt: the list of all (104) available participant identifiers that can participate in the experiment.

Collected data

Data collected in the application of the experiment as a simple one-factor randomised experiment in 2 sessions involving 85 undergraduate students majoring in CSE. The experiment was validated by the Ethics Committee for Research in Social and Human Sciences of the Ethics Council of the University of Minho, where the experiment took place. Data is shared the shape of JSON and CSV files with a header row, namely in directory data/results:

data_sessions.json: data collected from task-solving in the 2 sessions of the experiment, used to calculate variables productivity (PROD1 and PROD2, between 0 and 12 solved tasks) and efficiency (EFF1 and EFF2, between 0 and 1).

data_socio.csv: data collected from socio-demographic questionnaire in the 1st session of the experiment, namely:

participant identification: participant's unique identifier (ID);

socio-demographic information: participant's age (AGE), sex (SEX, 1 through 4 for female, male, prefer not to disclosure, and other, respectively), and average academic grade (GRADE, from 0 to 20, NA denotes preference to not disclosure).

data_emo.csv: detailed data collected from the emotional questionnaire in the 2 sessions of the experiment, namely:

participant identification: participant's unique identifier (ID) and the assigned treatment (column HINT, either N, L, E or D);

detailed emotional response data: the differential in the 5-point Likert scale for each of the 14 measured emotions in the 2 sessions, ranging from -5 to -1 if decreased, 0 if maintained, from 1 to 5 if increased, or NA denoting failure to submit the questionnaire. Half of the emotions are positive (Admiration1 and Admiration2, Desire1 and Desire2, Hope1 and Hope2, Fascination1 and Fascination2, Joy1 and Joy2, Satisfaction1 and Satisfaction2, and Pride1 and Pride2), and half are negative (Anger1 and Anger2, Boredom1 and Boredom2, Contempt1 and Contempt2, Disgust1 and Disgust2, Fear1 and Fear2, Sadness1 and Sadness2, and Shame1 and Shame2). This detailed data was used to compute the aggregate data in data_emo_aggregate.csv and in the detailed discussion in Section 6 of the paper.

data_umux.csv: data collected from the user experience questionnaires in the 2 sessions of the experiment, namely:

participant identification: participant's unique identifier (ID);

user experience data: summarised user experience data from the UMUX surveys (UMUX1 and UMUX2, as a usability metric ranging from 0 to 100).

participants.txt: the list of participant identifiers that have registered for the experiment.

Analysis scripts

The analysis scripts required to replicate the analysis of the results of the experiment as reported in the paper, namely in directory analysis:

analysis.r: An R script to analyse the data in the provided CSV files; each performed analysis is documented within the file itself.

requirements.r: An R script to install the required libraries for the analysis script.

normalize_task.r: A Python script to normalize the task JSON data from file data_sessions.json into the CSV format required by the analysis script.

normalize_emo.r: A Python script to compute the aggregate emotional response in the CSV format required by the analysis script from the detailed emotional response data in the CSV format of data_emo.csv.

Dockerfile: Docker script to automate the analysis script from the collected data.

Setup

To replicate the experiment and the analysis of the results, only Docker is required.

If you wish to manually replicate the experiment and collect your own data, you'll need to install:

A modified version of the Alloy4Fun platform, which is built in the Meteor web framework. This version of Alloy4Fun is publicly available in branch study of its repository at https://github.com/haslab/Alloy4Fun/tree/study.

If you wish to manually replicate the analysis of the data collected in our experiment, you'll need to install:

Python to manipulate the JSON data collected in the experiment. Python is freely available for download at https://www.python.org/downloads/, with distributions for most platforms.

R software for the analysis scripts. R is freely available for download at https://cran.r-project.org/mirrors.html, with binary distributions available for Windows, Linux and Mac.

Usage

Experiment replication

This section describes how to replicate our user study experiment, and collect data about how different hints impact the performance of participants.

To launch the Alloy4Fun platform populated with tasks for each session, just run the following commands from the root directory of the artifact. The Meteor server may take a few minutes to launch, wait for the "Started your app" message to show.

cd experimentdocker-compose up

This will launch Alloy4Fun at http://localhost:3000. The tasks are accessed through permalinks assigned to each participant. The experiment allows for up to 104 participants, and the list of available identifiers is given in file identifiers.txt. The group of each participant is determined by the last character of the identifier, either N, L, E or D. The task database can be consulted in directory data/experiment, in Alloy4Fun JSON files.

In the 1st session, each participant was given one permalink that gives access to 12 sequential tasks. The permalink is simply the participant's identifier, so participant 0CAN would just access http://localhost:3000/0CAN. The next task is available after a correct submission to the current task or when a time-out occurs (5mins). Each participant was assigned to a different treatment group, so depending on the permalink different kinds of hints are provided. Below are 4 permalinks, each for each hint group:

Group N (no hints): http://localhost:3000/0CAN

Group L (error locations): http://localhost:3000/CA0L

Group E (counter-example): http://localhost:3000/350E

Group D (error description): http://localhost:3000/27AD

In the 2nd session, likewise the 1st session, each permalink gave access to 12 sequential tasks, and the next task is available after a correct submission or a time-out (5mins). The permalink is constructed by prepending the participant's identifier with P-. So participant 0CAN would just access http://localhost:3000/P-0CAN. In the 2nd sessions all participants were expected to solve the tasks without any hints provided, so the permalinks from different groups are undifferentiated.

Before the 1st session the participants should answer the socio-demographic questionnaire, that should ask the following information: unique identifier, age, sex, familiarity with the Alloy language, and average academic grade.

Before and after both sessions the participants should answer the standard PrEmo 2 questionnaire. PrEmo 2 is published under an Attribution-NonCommercial-NoDerivatives 4.0 International Creative Commons licence (CC BY-NC-ND 4.0). This means that you are free to use the tool for non-commercial purposes as long as you give appropriate credit, provide a link to the license, and do not modify the original material. The original material, namely the depictions of the diferent emotions, can be downloaded from https://diopd.org/premo/. The questionnaire should ask for the unique user identifier, and for the attachment with each of the depicted 14 emotions, expressed in a 5-point Likert scale.

After both sessions the participants should also answer the standard UMUX questionnaire. This questionnaire can be used freely, and should ask for the user unique identifier and answers for the standard 4 questions in a 7-point Likert scale. For information about the questions, how to implement the questionnaire, and how to compute the usability metric ranging from 0 to 100 score from the answers, please see the original paper:

Kraig Finstad. 2010. The usability metric for user experience. Interacting with computers 22, 5 (2010), 323–327.

Analysis of other applications of the experiment

This section describes how to replicate the analysis of the data collected in an application of the experiment described in Experiment replication.

The analysis script expects data in 4 CSV files,

This dataset provides a comprehensive view of student performance and learning behavior, integrating academic, demographic, behavioral, and psychological factors.

It was created by merging two publicly available Kaggle datasets, resulting in a unified dataset of 14,003 student records with 16 attributes. All entries are anonymized, with no personally identifiable information.

Key Features

• Study behaviors & engagement → StudyHours, Attendance, Extracurricular, AssignmentCompletion, OnlineCourses, Discussions
• Resources & environment → Resources, Internet, EduTech
• Motivation & psychology → Motivation, StressLevel
• Demographics → Gender, Age (18–30 years)
• Learning preference → LearningStyle
• Performance indicators → ExamScore, FinalGrade

Objectives & Use Cases

The dataset can be used for:

• Predictive modeling → Regression/classification of student performance (ExamScore, FinalGrade)
• Clustering analysis → Identifying learning behavior groups with K-Means or other unsupervised methods
• Educational analytics → Exploring how study habits, stress, and motivation affect outcomes
• Adaptive learning research → Linking behavioral patterns to personalized learning pathways

Analysis Pipeline (from original study)

The dataset was analyzed in Python using:

• Preprocessing → Encoding, normalization (z-score, Min–Max), deduplication
• Clustering → K-Means, Elbow Method, Silhouette Score, Davies–Bouldin Index
• Dimensionality Reduction → PCA (2D/3D visualizations)
• Statistical Analysis → ANOVA, regression for group differences
• Interpretation → Mapping clusters to LearningStyle categories & extracting insights for adaptive learning

File

• merged_dataset.csv → 14,003 rows × 16 columns Includes student demographics, behaviors, engagement, learning styles, and performance indicators.

Provenance

• Source: Zenodo – Student Performance and Learning Behavior Dataset
• Creator: Kamal Najem (2024)
• License: CC BY 4.0 (per Zenodo terms)

This dataset is an excellent playground for educational data mining — from clustering and behavioral analytics to predictive modeling and personalized learning applications.

Imports:

# All Imports
import os
from matplotlib import pyplot as plt
import pandas as pd
from sklearn.calibration import LabelEncoder
import seaborn as sns
import matplotlib.image as mpimg
import cv2
import numpy as np
import pickle

# Tensflor and Keras Layer and Model and Optimize and Loss
import tensorflow as tf
from tensorflow import keras
from keras import Sequential
from keras.layers import *

#Kernel Intilizer 
from keras.optimizers import Adamax

# PreTrained Model
from keras.applications import *

#Early Stopping
from keras.callbacks import EarlyStopping
import warnings 

Warnings Suppression | Configuration

# Warnings Remove 
warnings.filterwarnings("ignore")

# Define the base path for the training folder
base_path = 'jaguar_cheetah/train'

# Weights file
weights_file = 'Model_train_weights.weights.h5'

# Path to the saved or to save the model:
model_file = 'Model-cheetah_jaguar_Treined.keras'

# Model history
history_path = 'training_history_cheetah_jaguar.pkl'

# Initialize lists to store file paths and labels
filepaths = []
labels = []

# Iterate over folders and files within the training directory
for folder in ['Cheetah', 'Jaguar']:
  folder_path = os.path.join(base_path, folder)
  for filename in os.listdir(folder_path):
    file_path = os.path.join(folder_path, filename)
    filepaths.append(file_path)
    labels.append(folder)

# Create the TRAINING dataframe
file_path_series = pd.Series(filepaths , name= 'filepath')
Label_path_series = pd.Series(labels , name = 'label')
df_train = pd.concat([file_path_series ,Label_path_series ] , axis = 1)


# Define the base path for the test folder
directory = "jaguar_cheetah/test"

filepath =[]
label = []

folds = os.listdir(directory)

for fold in folds:
  f_path = os.path.join(directory , fold)
  
  imgs = os.listdir(f_path)
  
  for img in imgs:
    
    img_path = os.path.join(f_path , img)
    filepath.append(img_path)
    label.append(fold)
    
# Create the TEST dataframe
file_path_series = pd.Series(filepath , name= 'filepath')
Label_path_series = pd.Series(label , name = 'label')
df_test = pd.concat([file_path_series ,Label_path_series ] , axis = 1)

# Display the first rows of the dataframe for verification
#print(df_train)

# Folders with Training and Test files
data_dir = 'jaguar_cheetah/train'
test_dir = 'jaguar_cheetah/test'

# Image size 256x256
IMAGE_SIZE = (256,256) 

Tain | Test

#print('Training Images:')

# Create the TRAIN dataframe
train_ds = tf.keras.utils.image_dataset_from_directory(
  data_dir,
  validation_split=0.1,
  subset='training',
  seed=123,
  image_size=IMAGE_SIZE,
  batch_size=32)

#Testing Data
#print('Validation Images:')
validation_ds = tf.keras.utils.image_dataset_from_directory(
  data_dir, 
  validation_split=0.1,
  subset='validation',
  seed=123,
  image_size=IMAGE_SIZE,
  batch_size=32)

print('Testing Images:')
test_ds = tf.keras.utils.image_dataset_from_directory(
  test_dir, 
  seed=123,
  image_size=IMAGE_SIZE,
  batch_size=32)

# Extract labels
train_labels = train_ds.class_names
test_labels = test_ds.class_names
validation_labels = validation_ds.class_names

# Encode labels
# Defining the class labels
class_labels = ['CHEETAH', 'JAGUAR'] 

# Instantiate (encoder) LabelEncoder
label_encoder = LabelEncoder()

# Fit the label encoder on the class labels
label_encoder.fit(class_labels)

# Transform the labels for the training dataset
train_labels_encoded = label_encoder.transform(train_labels)

# Transform the labels for the validation dataset
validation_labels_encoded = label_encoder.transform(validation_labels)

# Transform the labels for the testing dataset
test_labels_encoded = label_encoder.transform(test_labels)

# Normalize the pixel values

# Train files 
train_ds = train_ds.map(lambda x, y: (x / 255.0, y))
# Validate files
validation_ds = validation_ds.map(lambda x, y: (x / 255.0, y))
# Test files
test_ds = test_ds.map(lambda x, y: (x / 255.0, y))

#TRAINING VISUALIZATION
#Count the occurrences of each category in the column
count = df_train['label'].value_counts()

# Create a figure with 2 subplots
fig, axs = plt.subplots(1, 2, figsize=(12, 6), facecolor='white')

# Plot a pie chart on the first subplot
palette = sns.color_palette("viridis")
sns.set_palette(palette)
axs[0].pie(count, labels=count.index, autopct='%1.1f%%', startangle=140)
axs[0].set_title('Distribution of Training Categories')

# Plot a bar chart on the second subplot
sns.barplot(x=count.index, y=count.values, ax=axs[1], palette="viridis")
axs[1].set_title('Count of Training Categories')

# Adjust the layout
plt.tight_layout()

# Visualize
plt.show()

# TEST VISUALIZATION
count = df_test['label'].value_counts()

# Create a figure with 2 subplots
fig, axs = plt.subplots(1, 2, figsize=(12, 6), facec...

Synthetic India FMCG MMM Dataset (Weekly, 3 Years, Multi-Geo / Multi-Channel)

Subtitle: 3-Year Weekly Multi-Channel FMCG Marketing Mix Panel for India Grain: Week-ending Saturday × Geography × Brand × SKU Span: 156 weeks (2 Jul 2022 – 27 Jun 2025) Scope: 8 Indian geographies • 3 brands × 3 SKUs each (9 SKUs) • Full marketing, trade, price, distribution & macro controls • AI creative quality scores for digital banners.

This dataset is synthetic but behaviorally realistic, generated to help analysts experiment with Marketing Mix Modeling (MMM), media effectiveness, price/promo analytics, distribution effects, and hierarchical causal inference without using proprietary commercial data.

Why This Dataset?

Real MMM training data is rarely public due to confidentiality. This synthetic panel:

• Mirrors common FMCG (CPG) category dynamics in India (festive spikes, monsoon effects, geo scale differences).
• Includes paid media channels (TV, YouTube, Facebook, Instagram, Print, Radio).
• Captures promotions & trade levers (feature, display, temporary price reduction, trade spend).
• Provides distribution & availability metrics (Weighted Distribution, Numeric Distribution, TDP, NOS).
• Includes pricing (MRP, Net Price under TPR).
• Adds macro signals (CPI, GDP, Festival Index, Rainfall Index) aligned to India’s seasonality.
• Introduces AI Content Scores (Facebook & Instagram banner creative quality) — letting you explore creative × media interaction models.
• Delivered at a granular panel (Geo × Brand × SKU) suitable for pooled, hierarchical, or Bayesian MMM workflows.

Files

(If you also upload the Monday version, note it clearly and point users to which to use.)

Quick Start

import pandas as pd

df = pd.read_csv("/kaggle/input/synthetic-india-fmcg-mmm/synthetic_mmm_weekly_india_SAT.csv",
         parse_dates=["Week"])

df.info()
df.head()

Aggregate to Geo-Brand Weekly

geo_brand = (
  df.groupby(["Week","Geo","Brand"], as_index=False)
   .sum(numeric_only=True)
)

Create Modeling-Friendly Features

Example: log-transform sales value, normalize media, build price index.

import numpy as np

m = geo_brand.copy()
m["log_sales_val"] = np.log1p(m["Sales_Value"])
m["price_index"] = m["Net_Price"] / m.groupby(["Geo","Brand"])["Net_Price"].transform("mean")

Calendar Notes

• Week variable = week-ending Saturday (Pandas freq W-SAT).
• First week: 2022-07-02; last week: 2025-06-27 (depending on 156-week span anchor).

• To derive a week-start (Sunday) date:

  df["Week_Start"] = df["Week"] - pd.Timedelta(days=6)
  

Data Dictionary

Key Dimensions

Commercial Outcomes

Pricing