This readme file was generated on [2025-05-26] by M.A.J. ZEGERS


***GENERAL INFORMATION***

Title of Dataset: Dataset for 'Identifying Key Drivers of Product Formation in Microbial Electrosynthesis with a Mixed Linear Regression Analysis'

Author/Principal Investigator Information
Name: Ludovic Jourdin
ORCID: 0000-0002-6572-1154
Institution: Delft University of Technology
Address: Van der Maasweg 9, 2629HZ Delft, the Netherlands
Email: l.jourdin@tudelft.nl

Author/Associate or Co-investigator Information
Name: Marika A.J. Zegers
ORCID: 0009-0008-0170-3310
Institution: Delft University of Technology
Address: Van der Maasweg 9, 2629HZ Delft, the Netherlands
Email: m.a.j.zegers@tudelft.nl

Date of data collection: 2024-02-01 to 2024-12-01

Geographic location of data collection: Van der Maasweg 9, 2629HZ Delft, the Netherlands

Information about funding sources that supported the collection of the data: 
* This project is funded by the Department of Biotechnology of Delft University of Technology as part of the Zero Emission Biotechnology programme.
* "e-Heat: Understanding and controlling heat to enable large scale electrolysers” (NWO OTP 19757)

***SHARING/ACCESS INFORMATION***

Licenses/restrictions placed on the data: CC BY 4.0

Links to publications that cite or use the data: 

Links to other publicly accessible locations of the data: 

Links/relationships to ancillary data sets: 

Was data derived from another source?
If yes, list source(s): 

Recommended citation for this dataset: 


***DATA & FILE OVERVIEW***

File List: 
* 'Permutation_Test_Cond.py' performs a permutation test for the mixed linear regression model assessing the effects of pH, CO2, and H2. Units of measurement are annotated at relevant points in the scripts.
* 'DoE_MLRM_Cond.py' implements the mixed linear regression model for pH, CO2 and H2. Input files required to run the code (.xlsx format) are included ('DoE_Product_Concentrations_Cond.xlsx'). Units of measurement are annotated at relevant points in the scripts.
* 'Permutation_Test_HAc.py' performs a permutation test for the mixed linear regression model assessing the effects of pH and additional HAc. Units of measurement are annotated at relevant points in the scripts.
* 'DoE_MLRM_HAc.py' implements the mixed linear regression model for pH and additional HAc. Input files required to run the code (.xlsx format) are included ('DoE_Product_Concentrations_HAc.xlsx'). Units of measurement are annotated at relevant points in the scripts.
* 'Permutation_Test_TM.py' performs a permutation test for the mixed linear regression model assessing the effect of the trace metals selenium (Se) and tungsten (W). Units of measurement are annotated at relevant points in the scripts.
* 'DoE_MLRM_TM.py' implements the mixed linear regression model for the trace metals selenium (Se) and tungsten (W). Input files required to run the code (.xlsx format) are included ('DoE_Product_Concentrations_TM.xlsx'). Units of measurement are annotated at relevant points in the scripts.
* 'Reactor_Data' contains concentration data (in g/L) for carboxylic acids (C2, C4, C6) and methane (CH₄), starting from t = 0. Units are annotated at relevant points in the file.

Additional related data collected that was not included in the current data package: electrochemical data (available upon request).


***METHODOLOGICAL INFORMATION***

Description of methods used for collection/generation of data: electrochemical data was obtained with a Biologic VMP3 Multichannel Potentiostat (BioLogic, France).

Methods for processing the data:

Instrument- or software-specific information needed to interpret the data: Python (version 3.10.13) with packages numpy, pandas, os, scipy.optimize, scipy.stats, sklearn.metrics, matplotlib.pyplot, statsmodels.formula.api, seaborn. Ensure all packages are installed before running the scripts.


***TERMS OF USE***
The data and script are free to use under the CC BY 4.0 license. 

