Enter a target Q and ħω to calculate TAS angles.
·U + ·V
Command selects the action (drive / driverel / scan / scanrel / scantitle / count / wait / loop); Target selects the motor or logical variable for motion commands. Scan/scanrel Details use initial final step. HKLE uses H, K, L and E fields; at least one field must be ranged for a scan. br uses one HKL field with three space-separated values. scantitle accepts free text and enclosing loopN references (for example T=loop1), which export as SPICE loop variables such as T=%i. loop automatically creates its paired endloop. count uses MCU; wait remains in seconds. Scan/count MCU values are converted to real time using the MCU setting below. Fractions are accepted in numeric Details.
Calc MCU: Scan and count durations use the MCU value above together with the configured seconds per MCU. Ranged scan MCU values are used as relative weights and only unfixed scans are rescaled to fit the Scan start–finish time. Loop repetitions and Movement time are included. Fixed-Details commands use MCU = 0; wait remains in seconds. Adjusted MCU values are whole numbers and are truncated downward.
No
Command
Target
Details
MCU
Fix
Wavelength (Å)
Energy (meV)
Wavevector (Å⁻¹)
Frequency (THz)
Temperature (K)
Wavenumber (cm⁻¹)
Velocity (m/s)
1/3 λ
1/2 λ
λ
2 λ
3 λ
Input file
Output file
Note: Currently, mCIF export is supported only for single-k magnetic structures with P1 symmetry. Incommensurate mCIF: nuclear reflections only; magnetic intensities and mCIF export are not available.
Structure editor
Unit cell & symmetry
Atomic positions
No
Atom
x
y
z
Occupancy
Biso (Ų)
Anisotropic Uij
No
Use
Atom
U11 (Ų)
U22 (Ų)
U33 (Ų)
U12 (Ų)
U13 (Ų)
U23 (Ų)
Propagation vector
No
Atom
X (μB)
Y (μB)
Z (μB)
Color
No
Atom 1
Atom 2
Bonds
Polyhedral
Min (Å)
Max (Å)
Width
Color
Open the CIF/mCIF Generator to visualize the generated or selected structure.
I = (|FN|² + |FM|²) × L (L: Lorentz factor; × Mult in Graph); |FM|² = 0.07265 barn × |Σ f(Q) m⊥ eiQ·r|² (dipole approx., single domain, same Debye–Waller factor as nuclear). Auto f(Q): CIF oxidation state, else charge balance.
FWHM² =tan²θ +tanθ +
| No generated reflections yet. |
No file selected
Press Generate to preview the CIF.
ASET
Each ASET is a SPICE command template. Use
<value> for one-value Details and <range> for initial/final/step Details. Repeat placeholders to create multiple Detail boxes. For ASET lines beginning with scan or scanrel, preset mcu is added automatically from that command row's MCU value. Separate commands with commas or line breaks.NoTargetSPICE template
Time estimate commands
SPICE macro