Master the AG Grid spreadsheet, Plotly interactive charts, baseline subtraction, noise reduction, and XRD peak search.
Manage tabular data and interactive charts.
Open the Data Plot tab in your project or notebook. You can paste data directly from Excel/CSV into the smart AG Grid.
Select X and Y columns in the grid and click **Plot Chart**. The system generates interactive charts supporting zoom, pan, and high-res export.
Dedicated advanced toolset for energy storage, battery, and supercapacitor research.
Automatically decomposes charge/discharge cycles, computes specific capacity (mAh/g), Coulombic efficiency (CE %), and capacity retention across cycling.
Automatically detects anodic/cathodic redox peaks, evaluates peak potential separation ΔEp, and extracts diffusion coefficients across scan rates.
Plots Nyquist (-Z'' vs Z') and Bode charts, extracting bulk solution resistance Rs, charge transfer resistance Rct, and high-frequency phase shifts.
Extract semiconductor optical bandgaps and photovoltaic operational parameters.
Converts optical absorbance spectra into Tauc plots (alpha*h*nu)^(1/n) vs h*nu, with support for direct (n=1/2) and indirect (n=2) transitions and tangent baseline regression to determine Eg (eV).
Analyzes current density vs. voltage curves under standard AM 1.5G illumination, computing power conversion efficiency (PCE eta %), Fill Factor (FF), Voc, and Jsc.
Advanced XRD spectral data processing.
Click **XRD Tools**. Apply the Savitzky-Golay algorithm to smooth noisy spectra and automatically subtract baseline drift.
Click **Peak Search** and adjust the threshold. The system automatically identifies $2\theta$ angles, $d$-spacing, and FWHM values.
Click **COD/JCPDS Lookup** and input chemical formulas to match experimental diffraction peaks against standard crystal structure databases.
Adjust Polynomial Order and Window Size parameters in XRD Tools to smooth noisy curves without distorting peak intensities.
Sample 2-theta and XRD diffraction intensity dataset for TiO2 Anatase/Rutile
Compose multi-panel scientific figures compliant with ISI/Scopus publication standards.
Combine distinct charts into unified figures in 2x2 or 1x3 configurations with coordinated font themes and standard (a, b, c, d) subplot labels.
Export in publication-grade EPS, SVG, or vector PDF format at 600 DPI, preserving crisp fidelity for journal submission.
Detailed explanation of plotting tools, XRD spectrum processing, data smoothing, and scientific calculation modules:
| UI Element / Button Name | UI Type | Purpose & Operation Details | Recommended Value / Format |
|---|---|---|---|
Upload Data File | Button | Upload raw data files (.csv, .txt, .dat, .xy) from analytical instruments. | Supports files up to 50MB with automatic comma/tab delimiter detection. |
Analysis Mode | Dropdown Selection | Select dedicated processing mode: XRD Spectrum, Battery Cycling, UV-Vis, FTIR, Raman. | Dynamically updates UI and mathematical calculation modules. |
Select X / Y Columns | Dropdown Selection | Assign independent (X) and dependent (Y) data columns on AG Grid spreadsheet. | Example: 2-Theta column -> X axis, Intensity column -> Y axis. |
X / Y Axis Labels | Input Field | Enter axis titles and unit labels displayed on Plotly interactive charts. | Supports LaTeX formatting (e.g., 2\theta (^\circ)). |
Savitzky-Golay Smoothing | Toggle Settings | Enable Savitzky-Golay noise filtering without distorting peak sharpness. | Customizable Polynomial Order (1-5) and Frame Length. |
Peak Finding | Button | Automatically detect major diffraction peaks and mark 2-theta angles. | Adjustable peak prominence and minimum inter-peak distance. |
JCPDS / COD Lookup | Button | Cross-reference sample peaks with international crystal structure databases. | Overlays standard PDF card diffraction lines onto chart. |
Scherrer Grain Size Calculation | Button | Compute crystallite size D based on FWHM full-width at half maximum. | Uses Scherrer equation K=0.9, Wavelength Lambda=0.15406 nm. |
Battery Cycling & Cell Energy | module | Analyze battery charge/discharge cycling, capacity retention %, Coulombic efficiency, and dQ/dV plots. | Auto-extracts C-rate cycles from raw data. |
UV-Vis Bandgap Tauc Plot | module | Linear regression Tauc Plot ((alpha*h*nu)^(1/n) vs h*nu) to extract optical bandgap Eg (eV). | Supports direct transition (n=1/2) and indirect transition (n=2). |
Photocatalysis & Ion Kinetics | module | Analyze photocatalytic degradation rates, % C/C0 efficiency, and 1st order kinetic rate constant (k). | Exports ln(C0/C) vs irradiation time plots. |
Solar Cell J-V & EQE ISOS T80 | module | Extract Solar Cell parameters: Jsc, Voc, FF, PCE %, integrated EQE photon efficiency, and ISOS-T80 lifetime. | Supports standard ISOS-D/L/T protocols. |
Sensor & Telemetry Response | module | Calculate SNR signal-to-noise ratio, Response/Recovery Time, and sensitivity calibration curves. | Connects real-time telemetry stream data. |
Export HD Chart | Button | Download high-resolution plot images for international publishing. | PNG format (300 DPI) or vector SVG. |
Save to Project | Button | Sync entire dataset and chart configurations to cloud project folder. | Allows team members to collaborate and edit. |
Share your spectral analysis results.
Export high-resolution 300dpi publication-ready PNG plots or download processed datasets in CSV/Excel formats.
Click **Save to QuickNote/Notebook** to embed processed XRD plots with peak metrics directly into your lab notebook.