Refinement

Refinement results researchers can inspect.

SciPhys supports refinement-style XRD review with visible profiles, residuals, fit metrics, phase controls and refined structure parameter summaries.

Rwp / Rp

Review fit quality metrics with the profile.

Residuals

See where calculated and observed patterns disagree.

Parameters

Export refined lattice, scale and phase information.

What it does

Built around scientific evidence.

Not a black box refinement label

Refinement is only useful when the researcher can inspect the assumptions. SciPhys presents metrics, residuals, active phases and editable choices together.

  • Show observed, calculated and difference traces.
  • Separate auto-suggested phases from researcher-approved phases.
  • Highlight where model mismatch remains after fitting.

A practical bridge to expert tools

SciPhys is built to help users understand and document refinement evidence. Expert packages remain important for advanced crystallographic work, but the workflow can make early review faster and more reproducible.

  • Generate parameter tables for review and export.
  • Keep structure context next to the diffraction pattern.
  • Make suspicious phases or peak regions easier to discuss.

Connected to phase identification

Refinement quality depends on the selected phases. SciPhys keeps multiphase evidence, impurity candidates and missing peaks visible before and after fitting.

  • Enable or disable candidate phases during review.
  • Inspect unexplained peaks that may require additional phases.
  • Preserve fit settings with the lab archive record.

Workflow

From raw files to research decisions.

01

Select phases

Start from candidate phases and reference evidence.

02

Fit profile

Inspect calculated pattern, residuals and fit metrics.

03

Export parameters

Save refined summaries for reports, tables and review.

FAQ

Questions researchers ask first.

Is SciPhys a replacement for GSAS or FullProf?+

SciPhys is best understood as an online refinement assistant and evidence workspace. Advanced crystallographic refinement may still require specialist packages.

What refinement metrics does SciPhys show?+

The workflow is designed to show fit quality signals such as Rwp, Rp, GOF, residual traces and refined structure parameter summaries where available.

Can multiphase identification affect refinement?+

Yes. Missing or false phases can strongly affect the fit, so SciPhys keeps candidate phases and unexplained peaks visible during review.

Continue exploring

XRD phase identification

Review phases before refinement.

XRD publication figure

Export paper-style plots after fitting.

XRD analysis

See the full XRD workflow.