Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8ca9f1832573581fa4b454a93df748eb",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 124.002,
"b": 124.002,
"c": 90.090,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.124,3.000],
"number_observations": 83144,
"number_observations_unique": 10398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.158
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.080,3.000],
"number_observations": 6080,
"number_observations_unique": 1165,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.146
},
{
"type": "R(meas)",
"value": 6.849
},
{
"type": "I/SigI",
"value": 0.130
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.219
},
{
"type": "CC(1/2)",
"value": 0.142
}
]
},
{
"resolution_limits": [3.170,3.080],
"number_observations": 6203,
"number_observations_unique": 1152,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.385
},
{
"type": "R(meas)",
"value": 4.873
},
{
"type": "I/SigI",
"value": 0.230
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.385
},
{
"type": "CC(1/2)",
"value": 0.160
}
]
},
{
"resolution_limits": [3.260,3.170],
"number_observations": 6038,
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.770
},
{
"type": "R(meas)",
"value": 3.085
},
{
"type": "I/SigI",
"value": 0.450
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.278
},
{
"type": "CC(1/2)",
"value": 0.363
}
]
},
{
"resolution_limits": [3.360,3.260],
"number_observations": 5657,
"number_observations_unique": 1084,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.203
},
{
"type": "R(meas)",
"value": 2.459
},
{
"type": "I/SigI",
"value": 0.590
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.219
},
{
"type": "CC(1/2)",
"value": 0.524
}
]
},
{
"resolution_limits": [3.470,3.360],
"number_observations": 5422,
"number_observations_unique": 1063,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.458
},
{
"type": "R(meas)",
"value": 1.630
},
{
"type": "I/SigI",
"value": 0.940
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.101
},
{
"type": "CC(1/2)",
"value": 0.574
}
]
},
{
"resolution_limits": [3.590,3.470],
"number_observations": 4925,
"number_observations_unique": 1012,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.057
},
{
"type": "R(meas)",
"value": 1.187
},
{
"type": "I/SigI",
"value": 1.320
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.867
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [3.720,3.590],
"number_observations": 4875,
"number_observations_unique": 990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.834
},
{
"type": "R(meas)",
"value": 0.935
},
{
"type": "I/SigI",
"value": 1.730
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.924
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [3.880,3.720],
"number_observations": 5060,
"number_observations_unique": 942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.655
},
{
"type": "R(meas)",
"value": 0.727
},
{
"type": "I/SigI",
"value": 2.440
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.372
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [4.050,3.880],
"number_observations": 4928,
"number_observations_unique": 919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "R(meas)",
"value": 0.519
},
{
"type": "I/SigI",
"value": 3.380
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.362
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [4.250,4.050],
"number_observations": 4643,
"number_observations_unique": 881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 5.260
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.270
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [4.480,4.250],
"number_observations": 4432,
"number_observations_unique": 839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 6.880
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.282
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [4.750,4.480],
"number_observations": 4049,
"number_observations_unique": 785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 9.290
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.158
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [5.080,4.750],
"number_observations": 3678,
"number_observations_unique": 740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 10.210
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.970
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [5.480,5.080],
"number_observations": 3232,
"number_observations_unique": 688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 11.120
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.698
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [6.010,5.480],
"number_observations": 3321,
"number_observations_unique": 635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.230
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.710,6.010],
"number_observations": 3146,
"number_observations_unique": 583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 14.340
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.396
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.750,6.710],
"number_observations": 2749,
"number_observations_unique": 516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.328
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [9.500,7.750],
"number_observations": 2157,
"number_observations_unique": 442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 25.330
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.880
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [13.430,9.500],
"number_observations": 1591,
"number_observations_unique": 340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 31.040
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.679
}
]
},
{
"resolution_limits": [46.124,13.430],
"number_observations": 958,
"number_observations_unique": 199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 35.120
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 4.814
}
]
}
]
}