Download Letter - OpenGDA
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Diffcalc Developer Guide, Release 1.0 >>> pos(hkl, [1, 0, 0]) hkl: h: 1.00000 k: 0.00000 l: 0.00000 >>> scan(delta, 40, 80, 10, hkl, ct, 1) ------delta ------40.0000 50.0000 60.0000 70.0000 80.0000 ------- ------h k ------- ------0.67365 0.11878 0.84202 0.07367 1.00000 0.00000 1.14279 -0.09998 1.26604 -0.22324 ------l ------0.00000 0.00000 0.00000 0.00000 0.00000 ------ct ------0.00959 0.87321 3.98942 0.87321 0.00959 Scan h from hkl=010 to hkl=110 while counting a counter timer for 1s and reporting h and l and all the axes postions: >>> pos(hkl, [0, 1, 0]) hkl: h: -0.00000 k: 1.00000 l: 0.00000 >>> scan(h, 0, 1, .2, k, l, sixc, ct, 1) -------h -------0.00000 0.20000 0.40000 0.60000 0.80000 1.00000 ------k ------1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 ------l ------0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -----mu -----0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ------delta ------60.0000 61.3146 65.1654 71.3371 79.6302 90.0000 -----nu -----0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ------eta ------30.0000 30.6573 32.5827 35.6685 39.8151 45.0000 -----chi -----0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ------phi ------90.0000 78.6901 68.1986 59.0362 51.3402 45.0000 ------ct ------3.98942 0.53991 0.00134 0.00134 0.53991 3.98942 Rotate about the hkl=101 reflection while counting a counter timer for .1s and reporting the three unconstraied sample angles: >>> con(psi) qaz: 90.0000 ! psi: --mu: 0.0000 >>> scan(psi, 0, 90, 10, hkl, [1, 0, 1], eta, chi, phi, ct, .1) psi ------0.00000 10.00000 20.00000 30.00000 40.00000 50.00000 60.00000 70.00000 80.00000 90.00000 eta -----0.0000 0.4385 1.7808 4.1066 7.5463 12.2676 18.4349 26.1183 35.1489 45.0000 4.10. Scanning chi ------90.0000 82.9470 76.0046 69.2952 62.9660 57.2022 52.2388 48.3589 45.8640 45.0000 phi ------90.0000 82.8929 75.5672 67.7923 59.3179 49.8793 39.2315 27.2363 14.0019 0.0000 h ------1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 k ------0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 l ------1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 ct ------0.39894 0.39894 0.39894 0.39894 0.39894 0.39894 0.39894 0.39894 0.39894 0.39894 17