Analysis workflow
A complete EasyDiffraction analysis connects the model of a sample with an experiment and keeps the decisions that produced the result. Follow these stages in any interface.
Project Structure Experiment Analysis Report
Stage
Scientific task
Ready to continue when…
Project Organise the analysis, inputs and provenance
You can identify the measurement, model and starting conditions
Structure Describe the crystalline phase or phases
Symmetry, cell and atom sites represent your intended sample model
Experiment Describe the observations and how they are calculated
Data or a simulation range, instrument, profile, background and structure links are consistent
Analysis Calculate, fit and assess
The result has been inspected against the observations and physical model
Report Communicate and retain the result
The report matches the saved model and the complete project is retained
Choose how to carry it out
Interface
What its section provides
Application Workspace, imports, parameter controls, fit progress and visual inspection
Python Python Project objects, parameter access, analysis calls and result objects
Command line Commands for saved projects, output options and automation
The scientific explanations belong here; the interface pages link back to them as needed.