Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b33945a1f1f677fac8a083e559bb339a",
"space_group_name": "P 1",
"unit_cell": {
"a": 56.651,
"b": 56.772,
"c": 148.193,
"alpha": 85.12,
"beta": 85.26,
"gamma": 70.48
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.600],
"number_observations": 40830,
"number_observations_unique": 18449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
"refln_shells": [
{
"resolution_limits": [3.660,3.600],
"number_observations_unique": 944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.853
},
{
"type": "R(meas)",
"value": 1.062
},
{
"type": "R(pim)",
"value": 0.622
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.763
}
]
},
{
"resolution_limits": [3.730,3.660],
"number_observations_unique": 1004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.750
},
{
"type": "R(meas)",
"value": 0.939
},
{
"type": "R(pim)",
"value": 0.556
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [3.800,3.730],
"number_observations_unique": 1039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.670
},
{
"type": "R(meas)",
"value": 0.836
},
{
"type": "R(pim)",
"value": 0.491
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [3.880,3.800],
"number_observations_unique": 922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.523
},
{
"type": "R(meas)",
"value": 0.658
},
{
"type": "R(pim)",
"value": 0.393
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [3.960,3.880],
"number_observations_unique": 1006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.568
},
{
"type": "R(meas)",
"value": 0.714
},
{
"type": "R(pim)",
"value": 0.426
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [4.050,3.960],
"number_observations_unique": 956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(meas)",
"value": 0.473
},
{
"type": "R(pim)",
"value": 0.281
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [4.160,4.050],
"number_observations_unique": 937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.432
},
{
"type": "R(pim)",
"value": 0.259
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [4.270,4.160],
"number_observations_unique": 971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "R(pim)",
"value": 0.230
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [4.390,4.270],
"number_observations_unique": 976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "R(pim)",
"value": 0.194
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [4.540,4.390],
"number_observations_unique": 888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.276
},
{
"type": "R(pim)",
"value": 0.174
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [4.700,4.540],
"number_observations_unique": 904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [4.890,4.700],
"number_observations_unique": 925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [5.110,4.890],
"number_observations_unique": 882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "Completeness",
"value": 87.200
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [5.380,5.110],
"number_observations_unique": 868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "Completeness",
"value": 87.000
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [5.710,5.380],
"number_observations_unique": 900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "Completeness",
"value": 86.500
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [6.150,5.710],
"number_observations_unique": 870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [6.770,6.150],
"number_observations_unique": 896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [7.750,6.770],
"number_observations_unique": 892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [9.750,7.750],
"number_observations_unique": 853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 83.500
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [50.000,9.750],
"number_observations_unique": 816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 81.000
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}