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* The first line of the file contains the unit cell parameters and lattice centering (one of P,A,B,C,I,F). | * The first line of the file contains the unit cell parameters and lattice centering (one of P,A,B,C,I,F). | ||
* The wavelength and wedge angle are expected on the next lines (needed to compute ideal two theta, omega and azimuth angles for computed orientations). | * The wavelength and wedge angle are expected on the next lines (needed to compute ideal two theta, omega and azimuth angles for computed orientations). | ||
- | * A list of computed ds (ds = d*=||**G**|| = 1/d) values and expected h,k,l values for the unit cell. d* is 1/d-spacing and is expressed in Angstrom. Note that [[software:grainspotter|GrainSpotter]] can override this list of the genhkl option is set in the input file. | + | * A list of computed theoretical g-vectors for the unit cell with |
+ | * ds = d*= ||**G**|| = 1/d (expressed in Angstrom) | ||
+ | * h, k, l values for the unit cell. | ||
+ | * Note that [[software:grainspotter|GrainSpotter]] can override this list of the ''genhkl'' option is set in the input file. | ||
* The actual scattering vectors (g-vectors) extracted from the experimental data follow and | * The actual scattering vectors (g-vectors) extracted from the experimental data follow and | ||
- | * gx x-component of scattering vector (along the beam) with all angles at zero (units 1/Angstrom) gy y-component of scattering vector (toward the door) with all angles at zero (units 1/Angstrom) gz z-component of scattering vector (roughly up) with all angles at zero (units 1/Angstrom) xc spatially corrected peak x-position on detector (units: pixels) yc spatially corrected peak y-position on detector (units: pixels) ds 1/d-spacing - modulus of scattering vector - <math> ds = frac{lambda}{ 2 sin theta}</math> eta - azimuthal angle. omega rotation angle of scan spotid is an spot identifier to follow the individual spot at any process step xl x-component of scattering vector in the laboratory coordinate system (along the beam) with all angles at zero (units microns) yl y-component of scattering vector in the laboratory coordinate system (toward the door) with all angles at zero (units microns) zl z-component of scattering vector in the laboratory coordinate system (roughly up) with all angles at zero (units microns) Written by: ImageD11/guitransformer.py Read by: ImageD11/indexing.py and GrainSpotter and possibly other programs.. | + | * gx = x-component of scattering vector (along the beam) with all angles at zero (units 1/Angstrom) |
+ | * gy = y-component of scattering vector (toward the door) with all angles at zero (units 1/Angstrom) | ||
+ | * gz = z-component of scattering vector (roughly up) with all angles at zero (units 1/Angstrom) | ||
+ | * xc = spatially corrected peak x-position on detector (units: pixels) | ||
+ | * yc = spatially corrected peak y-position on detector (units: pixels) | ||
+ | * ds 1/d-spacing - modulus of scattering vector - <math> ds = λ / (2 sin θ) | ||
+ | * eta = azimuthal angle | ||
+ | * omega = rotation angle of scan | ||
+ | * spotid is an spot identifier to follow the individual spot at any process step | ||
+ | * xl = x-component of scattering vector in the laboratory coordinate system (along the beam) with all angles at zero (units microns) | ||
+ | * yl = y-component of scattering vector in the laboratory coordinate system (toward the door) with all angles at zero (units microns) | ||
+ | * zl = z-component of scattering vector in the laboratory coordinate system (roughly up) with all angles at zero (units microns) | ||
+ | |||
+ | These files are written by ImageD11/guitransformer.py and read by ImageD11/indexing.py and GrainSpotter and possibly other programs. | ||
- | * The first line are information on the sample crystal structure. | ||
- | * Wavelength is on the second line | ||
- | * Wedge is on the third line | ||
- | * Lines below are a list of theoretical hkl's (G-vectors), which will be used during indexing. Not that [[software:grainspotter|GrainSpotter]] can override this list of the genhkl option is set in the input file. For each, you have ds (||**G**|| = 1/d), h, k, and l. | ||
- | * Below are the list of experimental G-Vectors. ds eta, and omega are 1/d, η, and ω for each peak. |