Select Data File
Sample
Background
Profile
Phase 1 Parameters
System
Cubic (F)
Cubic (I)
Cubic (P)
Hexagonal (P)
Trigonal (R, Hex. axes)
Rhombohedral (Rhom. axes)
Tetragonal (I)
Tetragonal (P)
Orthorhombic (F)
Orthorhombic (I)
Orthorhombic (C)
Orthorhombic (P)
Monoclinic (C)
Monoclinic (P)
Phase 2 Parameters
System
Cubic (F)
Cubic (I)
Cubic (P)
Hexagonal (P)
Trigonal (R, Hex. axes)
Rhombohedral (Rhom. axes)
Tetragonal (I)
Tetragonal (P)
Orthorhombic (F)
Orthorhombic (I)
Orthorhombic (C)
Orthorhombic (P)
Monoclinic (C)
Monoclinic (P)
Lattice Constraints
Instrumental Parameters
Radiation (Å)
Zero (°)
Background (Rolling Ball)
Ball Radius (pts)
30
Smoothing (pts)
5
Gaussian Broadening
GU
GV
GW
GP
Lorentzian Broadening
LX
LY
Peak Shape & Position
Profile fn.
TCH pseudo-Voigt (eta derived)
Empirical pV (free eta)
eta (Mixing)
shft (Displ.)
trns (Transp.)
Refinement
Method
Levenberg-Marquardt
Simulated Annealing
2θ Min
10.0
2θ Max
80.0
Max Iterations
200
Rp (%)
-
Rwp (%)
-
χ²ᵣ (red.)
-
Load Data to Start Fit
Save Report
Generate PDF
?
Awaiting Data
Load a data file to begin.
NitaD, Univ Paris-Saclay, 19 July 2026