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| 1 | #GSAS-II instrument parameter file; manually edited by B.H.Toby to show how to use CorrectionCode |
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| 2 | Lam:0.72768 |
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| 3 | SH/L:0.002 |
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| 4 | Azimuth:45.814 |
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| 5 | X:0.0 |
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| 6 | Source: |
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| 7 | Zero:0.0 |
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| 8 | U:1.0 |
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| 9 | W:0.4 |
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| 10 | V:-0.1 |
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| 11 | Y:0.0 |
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| 12 | Polariz.:0.99 |
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| 13 | Type:PXC |
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| 14 | Bank:1 |
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| 15 | CorrectionCode:'''# Example 2theta correction (applied via numpy array correction; fast!) |
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| 16 | print '2theta before', rd.powderdata[0][:3],'...',rd.powderdata[0][-2:] |
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| 17 | TT = rd.powderdata[0] |
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| 18 | rd.powderdata[0] += 0.06038972 - 0.001500277 * TT + 7.389e-06 * TT**2 |
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| 19 | print '2theta after', rd.powderdata[0][:3],'...',rd.powderdata[0][-2:] |
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| 20 | ''' |
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| 21 | # |
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| 22 | # alternate example. This applies a correction point-by-point in a loop |
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| 23 | # |
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| 24 | #CorrectionCode:'''#apply 2theta correction in a loop |
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| 25 | #print '2T before', rd.powderdata[0][:3],'...',rd.powderdata[0][-3:] |
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| 26 | #for i in range(len(rd.powderdata[0])): |
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| 27 | # TT = rd.powderdata[0][i] |
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| 28 | # rd.powderdata[0][i] += 0.06038972 - 0.001500277 * TT + 7.389e-06 * TT**2 |
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| 29 | #print '2T after', rd.powderdata[0][:3],'...',rd.powderdata[0][-3:] |
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| 30 | #''' |
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