XRD 标准图谱Reference中的 QM=Star/Calculated 是什么意思？

发布时间：2025-05-13 18:45

查看: 235 | 回复: 2 当前主题已经存档。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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道虽迩，不行不至；事虽小，不为不成。

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖刚刚从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 ]

思念

2楼2008-06-14 12:56:19

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

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