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138 | 138 | * reflections: [str] Input file for reflections (LAZ LAU CIF, FullProf, ShelX). Use only incoherent scattering if NULL or "". |
139 | 139 | * |
140 | 140 | * Optional parameters: |
141 | | -* d_phi: [deg] Angle corresponding to the vertical angular range to focus to, e.g. detector height. 0 for no focusing. |
| 141 | +* barns: [1] Flag to indicate if |F|^2 from 'reflections' is in barns or fm^2, (barns=1 for laz/cif, barns=0 for lau type files). |
| 142 | +* concentric: [1] Indicate that this component has a hollow geometry and may contain other components. It should then be duplicated after the inside part (only for box, cylinder, sphere). |
142 | 143 | * d_omega: [deg] Horizontal focus range (only for incoherent scattering), 0 for no focusing. |
143 | | -* tth_sign: [1] Sign of the scattering angle. If 0, the sign is chosen randomly (left and right). ONLY functional in combination with d_phi and ONLY applies to bragg lines. |
144 | | -* focus_flip: [1] Controls the sense of d_phi. If 0 d_phi is measured against the xz-plane. If !=0 d_phi is measured against zy-plane. |
145 | | -* tth_sign: [1] Sign of the scattering angle. If 0, the sign is chosen randomly (left and right). |
146 | | -* pack: [1] Packing factor |
| 144 | +* d_phi: [deg] Angle corresponding to the vertical angular range to focus to, e.g. detector height. 0 for no focusing. |
147 | 145 | * delta_d_d: [1] Global relative Delta_d/d spreading when the 'w' column is not available. Use 0 if ideal. |
| 146 | +* density: [g/cm^3] Density of material. rho=density/weight/1e24*N_A. |
| 147 | +* DW: [1] Global Debye-Waller factor when the 'DW' column is not available. Use 1 if included in F2. |
| 148 | +* focus_flip: [1] Controls the sense of d_phi. If 0 d_phi is measured against the xz-plane. If !=0 d_phi is measured against zy-plane. |
148 | 149 | * format: [{}] Name of the format, or list of column indexes (see Description). N.b. no quotes! |
| 150 | +* geometry: [str] 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. |
| 151 | +* mat_format: [{}] Format of the asorption parameter file. |
| 152 | +* material: [Be.txt] File where the material parameters for the absorption may be found. Format is similar to what may be found off the NIST website. |
| 153 | +* nb_atoms: [1] Number of sub-unit per unit cell, that is ratio of sigma for chemical formula to sigma per unit cell. |
149 | 154 | * p_inc: [1] Fraction of incoherently scattered rays. |
150 | | -* p_transmit: [1] Fraction of transmitted (only attenuated) rays. |
151 | 155 | * p_interact: [1] Fraction of events interacting with sample, e.g. 1-p_transmit-p_inc. |
152 | | -* concentric: [1] Indicate that this component has a hollow geometry and may contain other components. It should then be duplicated after the inside part (only for box, cylinder, sphere). |
153 | | -* geometry: [str] 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. |
154 | | -* 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). |
| 156 | +* p_transmit: [1] Fraction of transmitted (only attenuated) rays. |
| 157 | +* pack: [1] Packing factor |
| 158 | +* target_index: [1] Relative index of component to focus incoherent scattering at, e.g. next is +1 |
| 159 | +* tth_sign: [1] Sign of the scattering angle. If 0, the sign is chosen randomly (left and right). ONLY functional in combination with d_phi and ONLY applies to bragg lines. |
155 | 160 | * Vc: [AA^3] Volume of unit cell=nb atoms per cell/density of atoms. |
156 | | -* DW: [1] Global Debye-Waller factor when the 'DW' column is not available. Use 1 if included in F2. |
157 | 161 | * weight: [g/mol] Atomic/molecular weight of material. |
158 | | -* density: [g/cm^3] Density of material. rho=density/weight/1e24*N_A. |
159 | | -* nb_atoms: [1] Number of sub-unit per unit cell, that is ratio of sigma for chemical formula to sigma per unit cell. |
160 | | -* material: [Be.txt] File where the material parameters for the absorption may be found. Format is similar to what may be found off the NIST website. |
161 | | -* mat_format: [{}] Format of the asorption parameter file. |
162 | | -* target_index: [1] Relative index of component to focus incoherent scattering at, e.g. next is +1 |
163 | 162 | * |
164 | 163 | * CALCULATED PARAMETERS: |
165 | 164 | * line_info: [struct] Internal structure containing many members/info |
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