DataChem / Scientific data analysis

Scientific and experimental data analysis

DataChem combines scientific expertise with Python tools tailored to your experimental data.

  • Analyse and interpret your measurements
  • Develop or adapt your analysis tools

Chemometrics · Spectroscopy · Adsorption · Kinetics · Modelling

Experimental data → Analysis → Model → Scientific insight
Experimental measurements Fitted model Scientific insightCharacteristic response
Model parameters
Fit assessment
Experimental dataAnalysisModelScientific insight

Illustrative model · not experimental results

Methods suited to your measurements

Chemometrics & spectroscopy

Explore variation in your spectra, separate overlapping contributions and resolve energy-dependent distributions.

PCA · MCR-ALS · 2D-IRIS · FTIR · Raman

Adsorption & kinetics

Fit experimental curves and estimate parameters with explicit model assumptions.

Breakthrough curves · Mass transfer

Scientific tools & automation

Develop or adapt Python tools to your data to run processing steps, visualise results and reproduce analyses.

Python · Multivariate analysis · Reports

Scientific case studies

The figures show the analysis. Each study explains what it can reveal and its limitations.

Ba-GIS: 2D-IRIS distribution of adsorbed CO₂

01 / Spectroscopy & adsorption

From experimental data to adsorption insight

Combining FTIR analysis, PCA and MCR-ALS with equilibrium isotherm modelling to examine how CO₂ adsorption differs across zeolite samples.

PCA · MCR-ALS · Isotherm modelling

Explore the study →
Breakthrough curve: experiment and Sips-LDF fit

02 / Dynamic adsorption · Python tool

From breakthrough curves to mass-transfer parameters

A DataChem tool developed in Python to process experimental data, fit models and extract the associated parameters.

Data → Model → Parameters → Report

Explore the tool and study →

A four-step approach

  1. Define the question

    Clarify the objective, available data and expected output.

  2. Review the measurements

    Check units, experimental conditions, quality and preprocessing.

  3. Analyse and assess

    Choose a suitable method, inspect residuals and discuss limitations.

  4. Deliver clear results

    Provide figures, indicators and a summary your team can use.

Abdelhafid Ait Blal

Your contact

Abdelhafid Ait Blal

PhD in chemistry, specialising in adsorption, spectroscopy and experimental-data analysis. An approach connecting numerical analysis with the measurements behind it.

View scientific profile →

Contact

Let’s discuss your data.

Describe your question briefly, without including confidential data in this first enquiry.

contact.datachem@gmail.com

The form prepares an email in your email app. You decide when to send it.

No message is sent automatically. Personal data