Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "522d9d80a67653f27fd766089322c82c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 209.43,
"b": 447.70,
"c": 618.27,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97911],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [121.530,2.300],
"number_observations": 8504865,
"number_observations_unique": 2467641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 6.540
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.447
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations": 596031,
"number_observations_unique": 175364,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.410
},
{
"type": "R(meas)",
"value": 1.673
},
{
"type": "I/SigI",
"value": 0.830
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.399
},
{
"type": "CC(1/2)",
"value": 0.125
}
]
},
{
"resolution_limits": [2.420,2.360],
"number_observations": 612555,
"number_observations_unique": 178134,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.206
},
{
"type": "R(meas)",
"value": 1.428
},
{
"type": "I/SigI",
"value": 0.990
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.439
},
{
"type": "CC(1/2)",
"value": 0.169
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations": 600995,
"number_observations_unique": 173595,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.004
},
{
"type": "R(meas)",
"value": 1.188
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.462
},
{
"type": "CC(1/2)",
"value": 0.230
}
]
},
{
"resolution_limits": [2.570,2.490],
"number_observations": 584140,
"number_observations_unique": 168762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.819
},
{
"type": "R(meas)",
"value": 0.969
},
{
"type": "I/SigI",
"value": 1.480
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.461
},
{
"type": "CC(1/2)",
"value": 0.308
}
]
},
{
"resolution_limits": [2.660,2.570],
"number_observations": 565913,
"number_observations_unique": 163709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.658
},
{
"type": "R(meas)",
"value": 0.779
},
{
"type": "I/SigI",
"value": 1.830
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.457
},
{
"type": "CC(1/2)",
"value": 0.407
}
]
},
{
"resolution_limits": [2.750,2.660],
"number_observations": 542073,
"number_observations_unique": 158224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.520
},
{
"type": "R(meas)",
"value": 0.618
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.426
},
{
"type": "CC(1/2)",
"value": 0.515
}
]
},
{
"resolution_limits": [2.850,2.750],
"number_observations": 499510,
"number_observations_unique": 151387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "R(meas)",
"value": 0.483
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.639
}
]
},
{
"resolution_limits": [2.970,2.850],
"number_observations": 492149,
"number_observations_unique": 143470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "R(meas)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 4.070
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.430
},
{
"type": "CC(1/2)",
"value": 0.784
}
]
},
{
"resolution_limits": [3.100,2.970],
"number_observations": 518611,
"number_observations_unique": 142045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 5.850
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.651
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [3.250,3.100],
"number_observations": 491446,
"number_observations_unique": 135533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 7.850
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.626
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [3.430,3.250],
"number_observations": 460050,
"number_observations_unique": 128770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 9.360
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.573
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [3.640,3.430],
"number_observations": 425351,
"number_observations_unique": 121734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 10.630
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.494
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [3.890,3.640],
"number_observations": 384090,
"number_observations_unique": 113823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 12.090
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.374
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [4.200,3.890],
"number_observations": 326011,
"number_observations_unique": 103808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 12.940
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.141
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [4.600,4.200],
"number_observations": 325255,
"number_observations_unique": 96204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 14.640
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.381
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [5.140,4.600],
"number_observations": 308102,
"number_observations_unique": 88793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 15.670
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.470
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [5.940,5.140],
"number_observations": 272044,
"number_observations_unique": 78655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 16.090
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.459
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [7.270,5.940],
"number_observations": 227563,
"number_observations_unique": 66811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 15.940
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.406
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [10.290,7.270],
"number_observations": 169009,
"number_observations_unique": 50439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 17.190
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.351
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [121.530,10.290],
"number_observations": 103967,
"number_observations_unique": 28381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 20.120
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.663
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}