Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "83d26a08a400824e31df920cfccc16dc",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.649,
"b": 112.699,
"c": 137.840,
"alpha": 105.98,
"beta": 96.20,
"gamma": 101.42
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.930],
"number_observations": 83204,
"number_observations_unique": 49500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 1.700
}
]
},
"refln_shells": [
{
"resolution_limits": [3.030,2.930],
"number_observations_unique": 4939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.577
},
{
"type": "R(meas)",
"value": 0.816
},
{
"type": "R(pim)",
"value": 0.577
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.750
}
]
},
{
"resolution_limits": [3.160,3.030],
"number_observations_unique": 4983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.448
},
{
"type": "R(meas)",
"value": 0.634
},
{
"type": "R(pim)",
"value": 0.448
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [3.300,3.160],
"number_observations_unique": 4922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "R(meas)",
"value": 0.488
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [3.470,3.300],
"number_observations_unique": 4847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.413
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [3.690,3.470],
"number_observations_unique": 4847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "R(pim)",
"value": 0.178
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.980,3.690],
"number_observations_unique": 4820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [4.380,3.980],
"number_observations_unique": 4978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [5.010,4.380],
"number_observations_unique": 5093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [6.310,5.010],
"number_observations_unique": 5058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [50.000,6.310],
"number_observations_unique": 5013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}