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[ Identification | Description | Input parameters | Links ] The
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Name | Unit | Description | Default | |
format | no quotes | Name of the format, or list of column indexes (see Description). | Undefined | |
reflections | Input file for reflections. Use only incoherent scattering if NULL or "" [string] | "NULL" | ||
packing_factor | 1 | How dense is the material compared to optimal 0-1 | 1 | |
Vc | Volume of unit cell=nb atoms per cell/density of atoms [AA^3] | 0 | ||
delta_d_d | 0/1 | Global relative delta_d_d/d broadening when the 'w' column is not available. Use 0 if ideal. | 0 | |
DW | 1 | Global Debye-Waller factor when the 'DW' column is not available. Use 1 if included in F2 | 0 | |
nb_atoms | 1 | Number of sub-unit per unit cell, that is ratio of sigma for chemical formula to sigma per unit cell | 1 | |
d_phi | deg | Angle corresponding to the vertical angular range to focus to, e.g. detector height. 0 for no focusing | 0 | |
density | g/cm^3 | Density of material. rho=density/weight/1e24*N_A. | 0 | |
weight | g/mol | Atomic/molecular weight of material | 0 | |
barns | 1 | Flag to indicate if |F|^2 from 'reflections' is in barns or fm^2 (barns=1 for laz, barns=0 for lau type files). | 1 | |
Strain | ppm | Global relative delta_d_d/d shift when the 'Strain' column is not available. Use 0 if ideal. | 0 | |
interact_fraction | 1 | How large a part of the scattering events should use this process 0-1 (sum of all processes in material = 1) | -1 |
AT ( | , | , | ) RELATIVE | |||
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ROTATED ( | , | , | ) RELATIVE |
Powder_process.comp
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[ Identification | Description | Input parameters | Links ]
Generated on 2024-01-03 11:47:43