Name

Unit

Description

Default

mosaic_AB

arcmin,arcmin,1,1,1,1,1,1

In Plane mosaic rotation and plane vectors (anisotropic), mosaic_A, mosaic_B, A_h,A_k,A_l, B_h,B_k,B_l. Puts the crystal in the in-plane mosaic state. Vectors A and B define plane in which the crystal roation is defined, and mosaic_A, mosaic_B, denotes the resp. mosaicities (gaussian RMS) with respect to the the two reflections chosen by A and B (Miller indices).

{0,0, 0,0,0, 0,0,0}

sqw

string

Name of a 4d S(q,w) file - example.sqw4 is included in your installation

0

geometry

string

Name of an Object File Format (OFF) or PLY file for complex geometry. The OFF/PLY file may be generated from XYZ coordinates using qhull/powercrust.

0

xwidth

m

Width of crystal.

0

yheight

m

Height of crystal.

0

zdepth

m

Depth of crystal (no extinction simulated)

0

radius

m

Outer radius of sample in (x,z) plane.

0

delta_d_d

1

Lattice spacing variance, gaussian RMS.

1e-4

mosaic

arcmin

Isotropic crystal mosaic, gaussian RMS. Puts the crystal in the isotropic mosaic model state, thus disregarding other mosaicity parameters.

-1

mosaic_a

arcmin

Horizontal (rotation around lattice vector a) mosaic (anisotropic), gaussian RMS. Put the crystal in the anisotropic crystal vector state. I.e. model mosaicity through rotation around the crystal lattice vectors. Has precedence over in-plane mosaic model.

-1

mosaic_b

arcmin

Vertical (rotation around lattice vector b) mosaic (anisotropic), gaussian RMS.

-1

mosaic_c

arcmin

Out-of-plane (Rotation around lattice vector c) mosaic (anisotropic), gaussian RMS.

-1

recip_cell

1

Choice of direct/reciprocal (0/1) unit cell definition.

0

barns

1

Flag to indicate if |F|^2 from ’reflections’ is in barns or fm^2. barns=1 for laz and isotropic constant elastic scattering (reflections=NULL), barns=0 for lau type files.

0

ax

Å / Å\(^{-1}\)

Coordinates of first (direct/recip) unit cell vector.

0

ay

Å / Å\(^{-1}\)

a on y axis

0

az

Å / Å\(^{-1}\)

a on z axis

0

bx

Å / Å\(^{-1}\)

Coordinates of second (direct/recip) unit cell vector.

0

by

Å / Å\(^{-1}\)

b on y axis

0

bz

Å / Å\(^{-1}\)

b on z axis

0

cx

Å / Å\(^{-1}\)

Coordinates of third (direct/recip) unit cell vector.

0

cy

Å / Å\(^{-1}\)

c on y axis

0

cz

Å / Å\(^{-1}\)

c on z axis

0

p_transmit

1

Monte Carlo probability for neutrons to be transmitted without any scattering. Used to improve statistics from weak reflections.

-1

sigma_abs

barns

Absorption cross-section per unit cell at 2200 m/s.

0

sigma_inc

barns

Incoherent scattering cross-section per unit cell.

0

aa

deg

Unit cell angles alpha, beta and gamma. Then uses norms of vectors a,b and c as lattice parameters.

0

bb

deg

Beta angle.

0

cc

deg

Gamma angle.

0

order

1

Limit multiple scattering up to given order (0: all, 1: first, 2: second, ...).

0

RX

m

Radius of horizontal along X lattice curvature. flat for 0.

0

RY

m

Radius of vertical lattice curvature. flat for 0.

0

RZ

m

Radius of horizontal along Z lattice curvature. flat for 0.

0

max_stored_ki

1

Number of incoming wavevectors for which computed reflection lists are cached

1000