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XRD 标准图谱Reference中的 QM=Star/Calculated 是什么意思？
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一种物质的XRD标准资料： PDF#17-0549: QM=Star/Calculated; d=Other/Unknown; I=(Unknown) Indium Oxide Hydroxide InOOH Radiation=CuKa1 Lambda=1.5406 Filter= Calibration= d-Cutoff= I/Ic(RIR)= Ref= Level-1 PDF Orthorhombic, Pnnm(58) Z=2 mp= Cell=5.26x4.56x3.27<90x90x90> Pearson= Density(c)=7.00 Density(m)= Mwt= Vol= Ref= Ibid. Strong Line: 3.44/X 2.66/9 2.78/9 1.87/8 2.63/7 1.63/7 1.54/7 1.76/6 d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d 3.440 100.0 68.0 1 1 0 25.879 12.939 0.1453 1.8265 2.776 85.0 72.0 1 0 1 32.220 16.110 0.1801 2.2634 2.658 85.0 75.0 0 1 1 33.692 16.846 0.1881 2.3639 2.629 70.0 62.0 2 0 0 34.075 17.037 0.1902 2.3900 2.367 14.0 14.0 1 1 1 37.983 18.991 0.2112 2.6545 2.279 25.0 26.0 2 1 0 39.509 19.754 0.2194 2.7570 1.869 80.0 100.0 2 1 1 48.678 24.339 0.2675 3.3618 1.762 55.0 73.0 1 2 1 51.846 25.923 0.2838 3.5659 1.721 30.0 41.0 2 2 0 53.177 26.588 0.2905 3.6509 1.635 65.0 93.0 0 0 2 56.214 28.107 0.3058 3.8429 1.545 65.0 98.0 3 0 1 59.810 29.905 0.3236 4.0668 1.477 50.0 79.0 1 1 2 62.868 31.434 0.3385 4.2540 1.461 18.0 29.0 1 3 0 63.637 31.818 0.3422 4.3006 1.388 30.0 50.0 2 0 2 67.415 33.708 0.3602 4.5268 1.379 8.0 14.0 0 3 1 67.915 33.958 0.3626 4.5563 1.328 14.0 25.0 2 1 2 70.905 35.453 0.3765 4.7313 1.315 12.0 21.0 4 0 0 71.714 35.857 0.3802 4.7781 1.279 18.0 33.0 3 2 1 74.063 37.031 0.3909 4.9126 1.220 14.0 27.0 2 3 1 78.304 39.152 0.4098 5.1502 1.185 14.0 28.0 2 2 2 81.087 40.544 0.4219 5.3023 1.178 25.0 50.0 4 1 1 81.671 40.835 0.4244 5.3338 第一行的QM=Star/Calculated是什么意思啊？希望能有高人指点！ |
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刚刚从JADE中找到了这样的说明。应该对你有帮助。 Jade's quality marks of the PDF phases are defined as follows: ? Star(+): PDF phases meet the following criteria: their PDF quality marks assigned by ICDD are Star/Calculated/Indexed, and their space group, cell constants, and density are determined. About 25% of the PDF phases satisfy these criteria. ? Doubtful(?): PDF phases meet the following criteria: (a) their PDF quality mark assigned by ICDD is Doubtful Quality; (b) patterns collected at non-ambient conditions (i.e., low or high temperatures and high pressures); (c) most elemental phases; (d) phases that have more than 4 elements (hydrogen not counted), except for minerals and organics; and (e) phases containing non-common chemistry (see the Chemistry Retrieval dialog for Jade's definition of common chemistry). About half of the PDF phases are 'doubtful' according to these criteria. 说明这个东西应该就是指PDF卡片的质量，因为pdf标准卡片的质量一般分为I级、星级、Q级、N级等，你提供的这个卡片应该是数据质量很好的。 [ Last edited by alusia on 2008-6-14 at 13:18 ] |
2楼2008-06-14 12:56:19