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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
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