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金虫 (著名写手)

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[求助] XRD 标准PDF卡片问题

那位高手帮忙解读一下关于XRD衍射中的PDF标准卡片问题，如何有origin作图，2θ和强度值怎么找？
PDF#05-0586: QM=Star(+); d=(Unknown); I=Diffractometer
Calcite, syn
Ca C O3 (Colorless)
Radiation=CuKa1 Lambda=1.5405 Filter=Ni
Calibration= d-Cutoff= I/Ic(RIR)=2.00
Ref= Swanson, Fuyat.
Natl. Bur. Stand. (U.S.), Circ. 539, II 51 (1953)
Rhombohedral - Powder Diffraction,  R-3c (167) Z=6 mp=
Cell=4.989x17.062 Pearson=hR10 (?)
Density(c)=2.711 Density(m)=2.710 Mwt=100.09 Vol=367.78 F(30)=57.2(.0159,33)
Ref= Ibid.

Strong Line: 3.04/X 2.29/2 2.10/2 1.91/2 1.88/2 2.50/1 3.86/1 1.60/1 1.93/1 1.53/1
NOTE:  Additional weak reflections [indicated by brackets] were observed.
See ICSD 16710, 20179, 28827, 18164, 18165 and 18166 (PDF 01-072-1214 and 01-072-1937); ICSD 73446 (PDF 01-081-2027); ICSD 79673 (PDF 01-083-0577); ICSD 79674 (PDF 01-083-0578).
Sample from Mallinckrodt Chemical Works.
Spectroscopic analysis: <0.1% Sr; <0.01% Ba; <0.001% Al, B, Cs, Cu, K, Mg, Na, Si, Sn; <0.0001% Ag, Cr, Fe, Li, Mn.
Pattern taken at 26 C.
Other form: aragonite.
Pattern reviewed by Parks, J., McCarthy, G., North Dakota State Univ., Fargo, North Dakota, USA, ICDD Grant-in-Aid (1992).
Agrees well with experimental and calculated patterns.

d(A)    I(f) I(v)  h  k l  n^2  2-Theta Theta  1/(2d) 2pi/d
3.860 12.0 9.0  0  1 2       23.022  11.511  0.1295  1.6278
3.035  100.0  100.0  1  0 4       29.405  14.702  0.1647  2.0702
2.845 3.0 3.0  0  0 6       31.418  15.709  0.1757  2.2085
2.495 14.0 17.0  1  1 0       35.965  17.983  0.2004  2.5183
2.285 18.0 24.0  1  1 3       39.401  19.700  0.2188  2.7498
2.095 18.0 26.0  2  0 2       43.145  21.572  0.2387  2.9991
1.927 5.0 8.0  0  2 4       47.123  23.561  0.2595  3.2606
1.913 17.0 27.0  0  1 8       47.489  23.744  0.2614  3.2845
1.875 17.0 28.0  1  1 6       48.512  24.256  0.2667  3.3510
1.626 4.0 7.0  2  1 1       56.553  28.276  0.3075  3.8642
1.604 8.0 15.0  1  2 2       57.400  28.700  0.3117  3.9172
1.587 2.0 4.0  1  0  10       58.073  29.037  0.3151  3.9592
1.525 5.0 10.0  2  1 4       60.676  30.338  0.3279  4.1201
1.518 4.0 8.0  2  0 8       60.986  30.493  0.3294  4.1391
1.510 3.0 6.0  1  1 9       61.344  30.672  0.3311  4.1611
1.473 2.0 4.0  1  2 5       63.058  31.529  0.3394  4.2656
1.440 5.0 11.0  3  0 0       64.677  32.338  0.3472  4.3633
1.422 3.0 6.0  0  0  12       65.597  32.799  0.3516  4.4186
1.356 1.0 2.0  2  1 7       69.229  34.615  0.3687  4.6336
1.339 2.0 5.0  0  2  10       70.236  35.118  0.3734  4.6924
1.297 2.0 5.0  1  2 8       72.868  36.434  0.3855  4.8444
1.284 1.0 2.0  3  0 6       73.726  36.863  0.3894  4.8934
1.247 1.0 2.0  2  2 0       76.298  38.149  0.4010  5.0386
1.235 2.0 5.0  1  1  12       77.175  38.587  0.4049  5.0876
1.186 1.0 3.0  3  1 2       80.930  40.465  0.4213  5.2938
1.179 3.0 8.0  2  1  10       81.545  40.772  0.4239  5.3270
1.172 1.0 3.0  0  1  14       82.111  41.055  0.4263  5.3574
1.153 3.0 8.0  1  3 4       83.765  41.882  0.4334  5.4456
1.142 1.0 3.0  2  2 6       84.785  42.392  0.4376  5.4995
1.124 1.0 3.0  1  2  11       86.480  43.240  0.4447  5.5880
1.061 1.0 3.0  2  0  14       93.069  46.535  0.4711  5.9203
1.047 3.0 9.0  4  0 4       94.697  47.349  0.4774  5.9994
1.044 4.0 12.0  3  1 8       95.008  47.504  0.4786  6.0143
1.035 2.0 6.0  1  0  16       96.162  48.081  0.4830  6.0695
1.023 1.0 3.0  2  1  13       97.644  48.822  0.4886  6.1395
1.011 2.0 6.0  3  0  12       99.157  49.579  0.4942  6.2099
0.989 1.0 3.0  3  2 1    102.238  51.119  0.5053  6.3499
0.984 1.0 3.0  2  3 2    102.948  51.474  0.5078  6.3815
0.978 1.0 3.0  1  3  10    103.895  51.947  0.5111  6.4232
0.976 3.0 9.0  1  2  14    104.120  52.060  0.5119  6.4331
0.965 2.0 6.0  3  2 4    105.842  52.921  0.5179  6.5077
0.963 4.0 13.0  0  4 8    106.141  53.071  0.5189  6.5205
0.956 1.0 3.0  0  2  16    107.329  53.665  0.5229  6.5710
0.942 2.0 6.0  4  1 0    109.557  54.778  0.5303  6.6637
0.937 2.0 6.0  2  2  12    110.479  55.240  0.5333  6.7014

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