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--- fileformat:gve [2019/09/04 15:34] – smerkel
+++ fileformat:gve [2019/09/04 15:51] (current) – smerkel
@@ 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]].
-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>
-.049750 4.049750 4.049750 90.000000 90.000000 90.000000 F
+.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
-.427693 -1 1 1
+.0179669   -1   -1    0
-.427693 -1 1 -1
+.0179669   -1    0   -1
-.427693 1 -1 1
+.0179669   -1    0    1
-.427693 1 -1 -1
+.0179669   -1    1    0
-.427693 -1 -1 -1
+.0179669    0   -1   -1
-.427693 1 1 1
+.0179669    0   -1    1
-.427693 1 1 -1
+.0179669    0    1   -1
-.427693 -1 -1 1
+.0179669    0    1    1
-.493858 0 0 -2
+.0179669    1   -1    0
-.493858 0 0 2
+.0179669    1    0   -1
-  .
+.0179669    1    0    1
-  .
+.0179669    1    1    0
-  .
+.0254091   -2    0    0
-# xr yr zr xc yc ds eta omega
+.0254091    0   -2    0
--1.064488 0.487933 -0.303576 393.350339 967.555462 1.209699 255.401608 -59.865730 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
-.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
-.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
-  .
+.013156 0.009757 0.007648 1503.726500 1543.564400 0.018077 -64.969351 54.000300 46271 211436.535556 3254.006490 1519.487824
-  .
+.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
+.017023 -0.001041 -0.006196 1502.350000 1516.761000 0.018145 -109.965181 93.999200 78237 211439.811196 338
 </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.