Plot and Analyze XRD Data Online
InstaNANO provides a browser-based online XRD graph plotter and analysis tool for researchers working with powder X-ray diffraction data. Experimental XRD patterns can be imported directly from supported instrument files, spreadsheets, text files, or pasted two-column data without installing desktop software.
This page opens the graph plotter in XRD mode with 2θ (°) on the x-axis and Intensity (a.u.) on the y-axis. After importing experimental data, researchers can correct the baseline, smooth the pattern, calculate peak area and FWHM, fit overlapping peaks, customize the graph, and proceed to XRD phase identification within the same workflow.
Online XRD Plotting and Analysis Features
- Direct drag-and-drop import of supported XRD instrument files.
- Automatic XRD axis titles and representative example data.
- Line, scatter, scatter-line, stacked, and multi-series graph options.
- Adjustable graph ratios for standard and wide scientific figures.
- arPLS baseline estimation and baseline-corrected XRD data.
- Local-polynomial smoothing with a selectable data window.
- Peak-area and full width at half maximum calculations.
- Linear and quadratic fitting over a selected diffraction range.
- Gaussian, Lorentzian, Voigt, asymmetric pseudo-Voigt, and EMG multi-peak fitting.
- Automatic and manual peak selection for XRD phase matching.
- Element, element-count, wavelength, and logical phase-search filters.
- Custom axis ranges, ticks, minor ticks, axis breaks, legends, text, and shapes.
- Editable series colors, line styles, symbols, widths, and opacity.
- PNG graph export at a selected DPI with white or transparent background.
- Project saving for continuing an XRD graph and analysis later.
- Desktop-browser operation on Windows, macOS, and Linux.
XRD Tutorials and Analysis Tools
The following tutorials explain individual XRD plotting and analysis workflows using the InstaNANO graph plotter. Each guide contains the relevant scientific background, practical steps, and tool-specific instructions. Additional XRD tutorials can be added to this directory as they are published.
Supported XRD File Formats
XRD data can be imported from several instrument and tabular formats. Files may be dropped directly into the upload area, while compatible numerical data can also be pasted or entered manually in the data table.
| Format | Use in the XRD Plotter |
|---|---|
.xrdml | Direct import of compatible XRDML scans containing 2θ positions and measured intensities. |
.raw | Direct import of supported RAW variants, including compatible Bruker RAW v4 and Rigaku Ultima IV files. |
.xy and .xye | Import of diffraction-angle and intensity data, including compatible uncertainty columns where present. |
.asc, .dat, and .uxd | Import of compatible ASCII diffraction data containing numerical position and intensity values. |
.csv and .txt | Import of delimited or whitespace-separated numerical XRD data. |
.xls and .xlsx | Direct import of XRD data stored in Microsoft Excel worksheets. |
| Copied data | Paste two-column or multi-series data directly into the editable graph table. |
How to Plot an XRD Graph Online
- Import the experimental XRD data.
Drag the XRD file into the upload area, select it from the computer, paste numerical data into the table, or enter the diffraction values manually.
- Check the XRD data columns.
Confirm that the diffraction angle is assigned as the x-axis and that each measured intensity series is assigned as a y-axis column.
- Inspect the plotted diffraction pattern.
Verify that the 2θ range, intensity values, peak positions, and sample names correspond to the experimental dataset.
- Process the XRD data when required.
Apply baseline correction or smoothing only when scientifically justified. The generated results are added as separate series so that they can be compared with the original experimental pattern.
- Measure or fit the diffraction peaks.
Select a suitable range to calculate peak area or FWHM, perform linear or quadratic fitting, or use multi-peak fitting for overlapping reflections.
- Customize the XRD figure.
Adjust the axis limits, ticks, graph ratio, series appearance, legend, annotations, and other settings according to the required figure format.
- Identify candidate crystalline phases when needed.
Open the XRD Match section to detect the principal experimental peaks, apply relevant filters, and compare the pattern with available reference data.
- Save or download the result.
Save the editable InstaNANO project for later use or export the completed graph as a PNG image at the required DPI.
XRD Data Processing and Peak Analysis
| Analysis Function | Application to XRD Data |
|---|---|
| Baseline correction | Estimate the slowly varying background using arPLS and generate separate baseline and baseline-corrected series. |
| Data smoothing | Apply local-polynomial smoothing over a selected window to reduce small point-to-point fluctuations. |
| Peak area | Integrate the intensity relative to the selected reference level over a defined 2θ range. |
| FWHM calculation | Calculate the full width at half maximum of an isolated diffraction peak within a selected range. |
| Curve fitting | Apply linear or quadratic fitting to a selected portion of the experimental data. |
| Multi-peak fitting | Separate overlapping contributions using Gaussian, Lorentzian, Voigt, asymmetric pseudo-Voigt, or exponentially modified Gaussian peak models. |
| XRD phase identification | Detect or manually select diffraction peaks and compare them with reference patterns using wavelength and composition filters. |
Proceed from XRD plotting to phase identification. The free preview shows the leading candidate matches and selected reference peaks. Credits can be used to compare the top 30 candidates with complete available reference peaks, HKL indexing, and crystal information.
Run XRD Phase IdentificationPreparing XRD Data for Reliable Analysis
- Use increasing 2θ values and the corresponding measured intensity values.
- Check that the imported scan range and step positions agree with the original measurement.
- Retain the unprocessed experimental data when applying smoothing or baseline correction.
- Avoid excessive smoothing that changes peak width, position, or relative intensity.
- Select an isolated peak when calculating FWHM whenever possible.
- Review the selected fitting range before interpreting fitted peak parameters.
- Use the correct experimental X-ray wavelength during phase matching.
- Apply elemental filters only when the sample composition is reasonably known.
- Consider preferred orientation, strain, crystallite size, background, and overlapping phases during interpretation.
- Record all processing and fitting settings used for a reported result.
Scientific note: Baseline correction, smoothing, peak fitting, and database matching support XRD interpretation but do not replace scientific evaluation of the original diffraction pattern. Processing conditions should be reported when they materially affect the resulting peak positions, widths, areas, or intensities.
Create Publication-Oriented XRD Figures
The graph editor provides direct control over the visual and numerical presentation of an XRD pattern. Researchers can prepare a single diffraction curve, compare several samples, display processed and unprocessed data together, or add fitted and reference-peak series to the same graph.
- Select standard or wide graph aspect ratios.
- Define custom x-axis and y-axis limits.
- Control major ticks, minor ticks, and custom tick positions.
- Add axis breaks when scientifically appropriate.
- Edit sample names and legend positions.
- Change line color, width, style, symbol, and opacity.
- Add text, arrows, lines, rectangles, ellipses, and other annotations.
- Export PNG figures at 150, 300, 600, or another selected DPI.
- Select a white or transparent graph background during export.
- Save the editable project before final figure preparation.
Who Can Use the Online XRD Tool?
- Materials-science and nanotechnology researchers.
- Chemistry, catalysis, ceramic, and metallurgy laboratories.
- Geology, mineralogy, pharmaceutical, and solid-state research groups.
- PhD scholars and postdoctoral researchers analyzing diffraction data.
- Students learning XRD plotting, peak analysis, and phase identification.
- University and industrial laboratories requiring a browser-based XRD workflow.
Frequently Asked Questions
Is the online XRD graph plotter free?
Yes. XRD plotting, graph customization, baseline correction, smoothing, area and FWHM calculation, curve fitting, and multi-peak fitting are available without purchasing analysis credits. XRD phase identification includes a free candidate preview, while complete matching results require credits.
Can I upload XRDML and RAW files directly?
Yes. Compatible XRDML files and supported RAW variants can be imported directly. The tool also supports XY, XYE, ASC, DAT, UXD, CSV, TXT, XLS, and XLSX data.
Can I correct the baseline of an XRD pattern online?
Yes. The baseline tool estimates the background using arPLS and adds both the estimated baseline and corrected diffraction pattern as separate series.
Can I smooth noisy XRD data?
Yes. Local-polynomial smoothing can be applied using a selectable window. The original XRD series should be retained and the smoothing window should be selected carefully to avoid changing meaningful diffraction features.
Can I calculate XRD peak area and FWHM?
Yes. Select the relevant diffraction range and choose either area or FWHM calculation. FWHM is most reliable when the selected range contains one distinguishable peak with measurable half-height crossings.
Can overlapping XRD peaks be fitted?
Yes. Multi-peak fitting supports Gaussian, Lorentzian, Voigt, asymmetric pseudo-Voigt, and left- or right-tailed EMG models. Researchers can select the fitting range and provide the approximate peak positions before fitting.
Can this tool identify crystalline phases?
Yes. The XRD phase-identification workflow compares selected experimental peaks with around one million reference patterns. The result provides ranked candidate phases that should be evaluated together with the complete diffraction pattern and known sample composition.
Does the XRD tool work on macOS and Linux?
Yes. The tool runs in a modern desktop web browser and therefore does not require Windows-only scientific plotting software or a separate installation.
Can the exported XRD graph be used for a publication?
The graph can be exported at a selected DPI with a white or transparent background. Researchers should verify the required dimensions, resolution, fonts, line widths, and data-processing disclosures against the guidelines of the target journal.
XRD Tool at a Glance
- Tool: InstaNANO Online XRD Graph Plotter and Analysis Tools
- Primary use: XRD plotting, processing, peak analysis, fitting, and phase identification
- Default axes: 2θ (°) and Intensity (a.u.)
- Instrument formats: XRDML and supported RAW variants
- Tabular formats: XY, XYE, ASC, DAT, UXD, CSV, TXT, XLS, and XLSX
- Peak analysis: Area, FWHM, curve fitting, and multi-peak fitting
- Phase matching: Free preview with optional credit-based complete results
- Export: User-selected DPI with white or transparent PNG background
- Platform: Modern desktop browsers on Windows, macOS, and Linux
- Installation: No desktop software installation required
Start with the XRD graph plotter above. Import the experimental diffraction data, verify the plotted pattern, and select the required tutorial or analysis function according to the scientific objective.