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

FROM MEASUREMENT TO INSIGHT
Synthetic spectra transformed into PCA observationsEach spectrum corresponds to one colour-matched point in a mean-centred PCA calculated from synthetic data. No experimental results or chemical assignments. Experimental spectra Chemometric analysis PCA spacePC1PC2 Wavenumber Source spectra Scientific insight
Dominant varianceSample relationshipsSpectral patterns

Experimental dataAnalysisModelScientific insight

Illustrative analysis · 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

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