C60baseline.dat

# Baseline estimated by subtracting interparticle contribution to PDF estimated
# from FCC lattice of hollow spherical shells with radius r1 and r2, and lattice
# parameter a.  Parameters estimated by fitting PDF from 7.5 to 20 angstroms,
# with a few points near likely baseline below 7.5 angstroms to constrain in
# single-molecule region.
# C60baseline[r, r1, r2, a, scale]
# {r1 -> 3.06816, r2 -> 4.05546, a -> 14.1103, scale -> 13740.2}
0.1	-1475.0325650706627
0.2	-2950.0651301413254
0.30000000000000004	-4425.097695211988
0.4	-5900.130260282651
0.5	-7375.162825353313
0.6	-8850.195390423974
0.7000000000000001	-10325.227955494638
0.8	-11800.260520565302
0.9	-13275.293085635964
1.	-14750.325650706625
1.1	-16225.358215777289
1.2000000000000002	-17700.390780847953
1.3000000000000003	-19175.423345918618
1.4000000000000001	-20650.455910989276
1.5000000000000002	-22125.48847605994
1.6	-23600.521041130603
1.7000000000000002	-25075.553606201265
1.8000000000000003	-26550.58617127193
1.9000000000000001	-28025.4599334596
2.	-29490.66450359999
2.1	-30922.864389112267
2.2	-32298.695523408274
2.3000000000000003	-33596.02271110294
2.4000000000000004	-34793.92402828217
2.5000000000000004	-35872.67522277091
2.6	-36813.734114401064
2.7	-37599.72499527952
2.8000000000000003	-38214.42303005611
2.9000000000000004	-38643.36877998671
3.0000000000000004	-38890.46318760791
3.1	-38978.52316580303
3.2	-38930.29758324947
3.3000000000000003	-38767.46243474178
3.4000000000000004	-38510.63644092366
3.5000000000000004	-38179.39664801996
3.6	-37792.294027568765
3.7	-37366.86907615337
3.8000000000000003	-36919.66741513431
3.9000000000000004	-36465.76231472305
4.	-36011.685031151355
4.1	-35557.60774757967
4.2	-35103.53046400798
4.3	-34649.45318043629
4.3999999999999995	-34195.37589686459
4.5	-33741.29861329292
4.6	-33287.22132972121
4.7	-32833.14404614952
4.8	-32379.06676257782
4.9	-31924.98947900614
5.	-31470.91219543446
5.1	-31016.83491186277
5.2	-30562.757628291063
5.3	-30108.680344719356
5.4	-29654.60306114771
5.5	-29200.525777575986
5.6	-28746.448494004322
5.7	-28292.371210432615
5.8	-27838.293926860926
5.9	-27384.216643289248
6.	-26930.139359411234
6.1	-26474.542488478357
6.2	-26010.083575850655
6.3	-25528.358372275903
6.4	-25021.398910324362
6.5	-24481.667989050857
6.6	-23902.053658656267
6.7	-23275.86370514998
6.8	-22596.820135010832
6.9	-21859.053659849822
7.	-21057.103538030915
7.1	-20189.157506289514
7.2	-19262.2608478449
7.3	-18284.582204221027
7.4	-17263.909088500266
7.5	-16207.653400662406
7.6	-15122.856942922259
7.7	-14016.19693506814
7.8	-12893.991529799485
7.9	-11762.205328065833
8.	-10626.439769837914
8.1	-9490.319158451903
8.2	-8354.198547065878
8.3	-7218.0779356797575
8.4	-6081.957324293807
8.5	-4945.8367129076605
8.6	-3809.7161015215393
8.7	-2673.5954901353934
8.8	-1537.4748787493209
8.9	-401.35426736339457
9.	734.7602819151251
9.1	1862.3074495985777
9.2	2947.158200990089
9.3	3960.188485831431
9.4	4888.604831527597
9.5	5719.720210100222
9.6	6439.247704671418
9.700000000000001	7031.349721945532
9.8	7478.687204694779
9.9	7762.46884423828
10.	7862.653161699448