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fileformat:gve [2019/09/04 13:34] smerkel |
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| 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 a [[fileformat:gveexample| full 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]]. |
| - | + | ||
| - | Below is a short extract and explanations | + | |
| <code> | <code> | ||
| - | 4.049750 4.049750 4.049750 90.000000 90.000000 90.000000 F | + | 78.712000 78.712000 78.712000 90.000000 90.000000 90.000000 I |
| - | # wavelength = 0.153636 | + | # wavelength = 0.939500 |
| - | # wedge = 0.000000 | + | # wedge = -0.051189 |
| + | # axis 0.000000 0.000000 1.000000 | ||
| + | [... the remaining part of the parameter information is snipped ...] | ||
| # ds h k l | # ds h k l | ||
| - | 0.427693 -1 1 1 | + | 0.0179669 -1 -1 0 |
| - | 0.427693 -1 1 -1 | + | 0.0179669 -1 0 -1 |
| - | 0.427693 1 -1 1 | + | 0.0179669 -1 0 1 |
| - | 0.427693 1 -1 -1 | + | 0.0179669 -1 1 0 |
| - | 0.427693 -1 -1 -1 | + | 0.0179669 0 -1 -1 |
| - | 0.427693 1 1 1 | + | 0.0179669 0 -1 1 |
| - | 0.427693 1 1 -1 | + | 0.0179669 0 1 -1 |
| - | 0.427693 -1 -1 1 | + | 0.0179669 0 1 1 |
| - | 0.493858 0 0 -2 | + | 0.0179669 1 -1 0 |
| - | 0.493858 0 0 2 | + | 0.0179669 1 0 -1 |
| - | . | + | 0.0179669 1 0 1 |
| - | . | + | 0.0179669 1 1 0 |
| - | . | + | 0.0254091 -2 0 0 |
| - | # xr yr zr xc yc ds eta omega | + | 0.0254091 0 -2 0 |
| - | -1.064488 0.487933 -0.303576 393.350339 967.555462 1.209699 255.401608 -59.865730 0 | + | 0.0254091 0 0 -2 |
| - | -0.647861 0.323941 0.382165 659.957013 791.719538 0.818970 297.876500 -59.355276 1 | + | [ lots of hkl's snipped ] |
| - | -0.694335 0.422749 -0.099470 473.489709 826.087974 0.818970 263.009860 -55.030765 2 | + | # gx gy gz xc yc ds eta omega spot3d_id xl yl zl |
| - | 0.277708 -0.258757 -0.586271 285.515284 366.081243 0.698420 147.207272 -52.688612 3 | + | -0.006049 -0.006821 -0.011411 1553.000000 1506.534500 0.014605 141.377789 41.000000 35325 211440.500505 -1811.094736 -2266.916293 |
| - | 0.601890 -0.616322 -0.690907 242.754491 178.278465 1.104299 128.896483 -50.564083 4 | + | -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> | </code> | ||
| - | Explanations | + | Explanations (directly inspired from the ImageD11 manual) |
| - | * The first line are information on the sample crystal structure. | + | * The first line of the file contains the unit cell parameters and lattice centering (one of P,A,B,C,I,F). |
| - | * Wavelength is on the second line | + | * The wavelength and wedge angle are expected on the next lines (needed to compute ideal two theta, omega and azimuth angles for computed orientations). |
| - | * Wedge is on the third line | + | * A list of computed theoretical g-vectors for the unit cell with |
| - | * Lines below are a list of hkl's, 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 | + | * 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.1567604099.txt.gz · Last modified: 2019/09/04 13:34 by smerkel
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