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今天9088金蟲 (小有名氣)
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[求助]
晶體結(jié)構(gòu)模擬的xrd數(shù)據(jù)個代表什么?尤其是第三行?謝謝!
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| 大家好!請問用晶體結(jié)構(gòu)模擬(也就是mercury模擬的)的xrd數(shù)據(jù)各行代表什么?尤其是第三行?謝謝! |
XRD測試 | EDX及透射掃描分析 |

金蟲 (小有名氣)
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5.78 18.6926 4.4 5.8 19.7428 4.44329 5.82 21.0082 4.58347 5.84 22.625 4.75657 5.86 24.8567 4.98565 5.88 28.1524 5.30589 5.9 33.111 5.75421 5.92 40.1487 6.3363 5.94 48.1984 6.9425 5.96 52.5023 7.24585 5.98 49.4273 7.03045 6 43.4339 6.59044 6.02 38.7995 6.22893 6.04 36.2656 6.0221 6.06 35.3619 5.94659 6.08 35.5137 5.95933 6.1 36.3125 6.02599 6.12 37.5316 6.1263 6.14 39.0636 6.25009 6.16 40.8628 6.3924 6.18 42.9135 6.55084 6.2 45.2158 6.72427 6.22 47.7804 6.91234 6.24 50.6265 7.11523 6.26 53.7802 7.3335 6.28 57.2755 7.56806 6.3 61.1539 7.8201 6.32 65.466 8.09111 6.34 70.2728 8.38289 6.36 75.6479 8.69758 6.38 81.6799 9.0377 6.4 88.4768 9.40621 6.42 96.17 9.80663 6.44 104.921 10.2431 6.46 114.929 10.7205 6.48 126.445 11.2448 6.5 139.782 11.823 6.52 155.343 12.4637 6.54 173.644 13.1774 6.56 195.361 13.9772 6.58 221.391 14.8792 6.6 252.94 15.9041 6.62 291.663 17.0781 6.64 339.873 18.4357 6.66 400.882 20.022 6.68 479.555 21.8988 ... ......... ........... 以上是mercury模擬的xrd數(shù)據(jù),第三行數(shù)據(jù)代表的是什么呢?謝謝! |

鐵桿木蟲 (職業(yè)作家)
金蟲 (小有名氣)
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5.78 18.6926 4.4 5.8 19.7428 4.44329 5.82 21.0082 4.58347 5.84 22.625 4.75657 5.86 24.8567 4.98565 5.88 28.1524 5.30589 5.9 33.111 5.75421 5.92 40.1487 6.3363 5.94 48.1984 6.9425 5.96 52.5023 7.24585 5.98 49.4273 7.03045 6 43.4339 6.59044 6.02 38.7995 6.22893 6.04 36.2656 6.0221 6.06 35.3619 5.94659 6.08 35.5137 5.95933 6.1 36.3125 6.02599 6.12 37.5316 6.1263 6.14 39.0636 6.25009 6.16 40.8628 6.3924 6.18 42.9135 6.55084 6.2 45.2158 6.72427 6.22 47.7804 6.91234 6.24 50.6265 7.11523 6.26 53.7802 7.3335 6.28 57.2755 7.56806 6.3 61.1539 7.8201 6.32 65.466 8.09111 6.34 70.2728 8.38289 6.36 75.6479 8.69758 6.38 81.6799 9.0377 6.4 88.4768 9.40621 6.42 96.17 9.80663 6.44 104.921 10.2431 6.46 114.929 10.7205 6.48 126.445 11.2448 6.5 139.782 11.823 6.52 155.343 12.4637 6.54 173.644 13.1774 6.56 195.361 13.9772 6.58 221.391 14.8792 6.6 252.94 15.9041 6.62 291.663 17.0781 6.64 339.873 18.4357 6.66 400.882 20.022 6.68 479.555 21.8988 ... ......... ........... 以上是mercury模擬的xrd數(shù)據(jù),第三行數(shù)據(jù)代表的是什么呢?謝謝! |

鐵桿木蟲 (職業(yè)作家)
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你說的是第三列吧? .xye Format A format for powder-diffraction patterns. The first line contains the wavelength, in Å. Subsequent lines contain three fields, 2theta, intensity, standard deviation of intensity. |
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