Table 1 This table describes the data comprised in the dataset presented herein.
From: Conductivity experiments for electrolyte formulations and their automated analysis
Column name | Description | Data type | Range | Unique entries | Unit |
|---|---|---|---|---|---|
experimentID | A unique identifier for each experiment coding an operator, the date of the experiment and the batch of the electrolyte used. | string | not applicable | 504 | — |
temperature | The temperature at which the measurement was conducted | float | (−30, 60) | 10 | °C |
frequency | A series of frequency values selected for the electrochemical impedance spectroscopy | Str[List[float]] | (50, 20000) | 1 | Hz |
real_impedance | A series of the real part of the impedance measured by means of the electrochemical impedance spectroscopy | Str[List[float]] | (−390106, 114305526) | 5035 | Ω |
imaginary_impedance | A series of the imaginary part of the impedance measured by means of the electrochemical impedance spectroscopy | Str[List[float]] | (−371850382, 103) | 5035 | Ω |
cell_constant,_standard_deviation | A tuple comprising the cell constant and its standard deviation determined from five measurements using a 0.01 M KCl (aq) standard solution at 20 °C with a 2 h equilibration period between measurements | Str[Tuple[float]] | (3.815, 4.720); (0.000, 0.178) | 339 | cm−1 |
PC | The mass of propylene carbonate (PC) used for electrolyte formulation | float | (0.273, 5.306) | 105 | g |
EC | The mass of ethylene carbonate (EC) used for electrolyte formulation | float | (0.000, 4.320) | 99 | g |
EMC | The mass of ethyl methyl carbonate (EMC) used for electrolyte formulation | float | (5.293, 9.457) | 105 | g |
LiPF_6 | The mass of lithium hexafluorophosphate (LiPF6) used for electrolyte formulation | float | (0.301, 4.093) | 100 | g |
metadata | Further metadata regarding the electrolyte solution arranged in a dictionary with the keys experimentDate, experimentType, formatVersion, channel, electrolyteAmount, suspectedMeasurementError, PC, EC, EMC, and LiPF6 | Str[Dict[str]] | not applicable | 504 | — |
phase_shift | The phase shift as obtained from EIS analysis as implemented in MADAP | Str[List[float]] | (0.131, 89.882) | 5035 | ° |
EIS_conductivity | The conductivity as obtained from EIS analysis performed using MADAP | float | (0.000, 0.019) | 5035 | S cm−1 |
EIS_fittedParameters | The values and corresponding uncertainties of the elements in the equivalent circuit as determined using MADAP | Str[List[tuple]] | not applicable | 5035 | — |
EIS_RMSE | The RMSE of the fit obtained by applying the equivalent circuit determined using MADAP in the real and imaginary dimension | float | (4.363, 28560.795) | 5035 | — |
EIS_numberRCelements | The required number of RC elements in the equivalent circuit required to reproduce the EIS spectrum determined using the linKK method as implemented in the impedance package22 | float | (5, 11) | 7 | — |
EIS_fitEvaluation | A numeric value indicating the quality of the fit. A value close to unity indicates a good fit. | float | (0.576, 0.850) | 5035 | — |
EIS_resistance | The ionic charge transfer resistance as obtained from EIS analysis as implemented in MADAP | float | (241.781, 25564.121) | 5035 | Ω |
EIS_chiSquare | A statistical measure for the goodness of the fit as obtained from the linKK method as implemented in the impedance package22 | float | (0.000, 0.322) | 5035 | — |
EIS_circuit | The equivalent circuit for the EIS spectrum as obtained from the linKK method as implemented in the impedance package22 | string | not applicable | 8 | — |
EIS_impedance | A list of impedance values obtained from the fit generated during the EIS analysis performed using MADAP | Str[List[compex]] | not applicable | 5035 | Ω |
EIS_residualReal | The real part of the residuals of the fit as determined using the linKK method as implemented in the impedance package22 | Str[List[float]] | (−0.118, 0.170) | 5035 | Ω |
EIS_residualImaginary | The imaginary part of the residuals of the fit as determined using the linKK method as implemented in the impedance package22 | Str[List[float]] | (−0.118, 0.170) | 5035 | Ω |
Arrhenius_activationEnergy | The activation energy obtained from the analysis according to the Arrhenius equation using MADAP | float | (9.427, 30.413) | 504 | mJ mol−1 |
Arrhenius_preExponential | The pre-exponential factor obtained from the analysis according to the Arrhenius equation using MADAP | float | (0.109, 962.145) | 504 | — |
Arrhenius_R2 | The R2 score corresponding to the linear fit obtained in the analysis according to the Arrhenius equation using MADAP | float | (0.186, 0.999) | 504 | — |
Arrhenius_MSE | The mean square error for the linear fit determined during the analysis according to the Arrhenius equation using MADAP | float | (0.000, 0.703) | 504 | — |
Arrhenius_lnConductivity | A list of Inσ obtained from the linear fit according to the Arrhenius equation determined by MADAP | float | (−8.175, −3.713) | 5035 | ln(S cm−1) |
