Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87bcbf3a0c78b34a27832484e201ffa1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 194.460,
"b": 62.257,
"c": 160.706,
"alpha": 90.00,
"beta": 90.35,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.13],
"number_observations_unique": 106570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.130],
"number_observations_unique": 5239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "R(meas)",
"value": 0.720
},
{
"type": "R(pim)",
"value": 0.334
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [2.220,2.180],
"number_observations_unique": 5279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "R(meas)",
"value": 0.634
},
{
"type": "R(pim)",
"value": 0.285
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 5231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.596
},
{
"type": "R(pim)",
"value": 0.261
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 5342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.441
},
{
"type": "R(meas)",
"value": 0.494
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [2.360,2.310],
"number_observations_unique": 5292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "R(meas)",
"value": 0.437
},
{
"type": "R(pim)",
"value": 0.192
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [2.410,2.360],
"number_observations_unique": 5329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.388
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [2.470,2.410],
"number_observations_unique": 5299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "R(meas)",
"value": 0.367
},
{
"type": "R(pim)",
"value": 0.163
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [2.540,2.470],
"number_observations_unique": 5295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [2.610,2.540],
"number_observations_unique": 5299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [2.700,2.610],
"number_observations_unique": 5300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.790,2.700],
"number_observations_unique": 5267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.900,2.790],
"number_observations_unique": 5349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [3.040,2.900],
"number_observations_unique": 5348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.200,3.040],
"number_observations_unique": 5358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.400,3.200],
"number_observations_unique": 5317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.660,3.400],
"number_observations_unique": 5352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.030,3.660],
"number_observations_unique": 5341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.610,4.030],
"number_observations_unique": 5402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [5.810,4.610],
"number_observations_unique": 5379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [50.000,5.810],
"number_observations_unique": 5552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}