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| - | ====== File format for g-vectors ====== | + | ====== File format for G-vectors ====== |
| G-vectors are save in a file with a ''gve'' extension. | G-vectors are save in a file with a ''gve'' extension. | ||
| Line 5: | Line 5: | ||
| The can be used for indexing grains, as described in the sections on [[processing:indexing_with_grainspotter|Grain indexing with GrainSpotter]] and [[processing:indexing_with_imaged11|Grain indexing with ImageD11]]. Typically, ''gve'' files are generated while [[processing:compute_gvectors|Computing G-vectors]]. | The can be used for indexing grains, as described in the sections on [[processing:indexing_with_grainspotter|Grain indexing with GrainSpotter]] and [[processing:indexing_with_imaged11|Grain indexing with ImageD11]]. Typically, ''gve'' files are generated while [[processing:compute_gvectors|Computing G-vectors]]. | ||
| - | Attached is an [[fileformat:gveexample| example for aluminum]] extracted from the [[software:grainspotter|GrainSpotter]] source code. | + | Below is an example, extracted from the [[software:imaged11|ImageD11]] manual at [[https://pythonhosted.org/ImageD11/fileformats.html]]. |
| + | |||
| + | <code> | ||
| + | 78.712000 78.712000 78.712000 90.000000 90.000000 90.000000 I | ||
| + | # wavelength = 0.939500 | ||
| + | # wedge = -0.051189 | ||
| + | # axis 0.000000 0.000000 1.000000 | ||
| + | [... the remaining part of the parameter information is snipped ...] | ||
| + | # ds h k l | ||
| + | 0.0179669 -1 -1 0 | ||
| + | 0.0179669 -1 0 -1 | ||
| + | 0.0179669 -1 0 1 | ||
| + | 0.0179669 -1 1 0 | ||
| + | 0.0179669 0 -1 -1 | ||
| + | 0.0179669 0 -1 1 | ||
| + | 0.0179669 0 1 -1 | ||
| + | 0.0179669 0 1 1 | ||
| + | 0.0179669 1 -1 0 | ||
| + | 0.0179669 1 0 -1 | ||
| + | 0.0179669 1 0 1 | ||
| + | 0.0179669 1 1 0 | ||
| + | 0.0254091 -2 0 0 | ||
| + | 0.0254091 0 -2 0 | ||
| + | 0.0254091 0 0 -2 | ||
| + | [ lots of hkl's snipped ] | ||
| + | # gx gy gz xc yc ds eta omega spot3d_id xl yl zl | ||
| + | -0.006049 -0.006821 -0.011411 1553.000000 1506.534500 0.014605 141.377789 41.000000 35325 211440.500505 -1811.094736 -2266.916293 | ||
| + | -0.012846 0.008203 -0.009504 1564.869800 1510.194700 0.017962 121.948198 122.022400 105544 211439.925254 -3027.977786 -1888.286052 | ||
| + | 0.013156 0.009757 0.007648 1503.726500 1543.564400 0.018077 -64.969351 54.000300 46271 211436.535556 3254.006490 1519.487824 | ||
| + | 0.000474 0.018005 -0.001647 1500.521000 1525.574600 0.018086 -95.223069 1.993700 3308 211438.759075 3578.198430 -327.094270 | ||
| + | -0.003736 0.010752 0.014069 1557.512700 1555.861300 0.018097 38.972120 160.000000 155486 211434.450605 -2261.233048 2795.170225 | ||
| + | -0.013099 -0.009687 -0.007903 1566.912500 1513.290200 0.018108 115.878145 53.000000 44665 211439.526323 -3236.750899 -1570.156341 | ||
| + | 0.017023 -0.001041 -0.006196 1502.350000 1516.761000 0.018145 -109.965181 93.999200 78237 211439.811196 338 | ||
| + | </code> | ||
| + | |||
| + | Explanations (directly inspired from the ImageD11 manual) | ||
| + | * 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). | ||
| + | * 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 | ||
| + | * 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. | ||
fileformat/gve.1567602967.txt.gz · Last modified: 2019/09/04 13:16 by smerkel
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