Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed6c95f4f49c6c3cb65e10f1ca73ae2a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 70.632,
"b": 112.098,
"c": 170.795,
"alpha": 90.0,
"beta": 99.3,
"gamma": 90.0
},
"wavelengths": [1.28357],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.400],
"number_observations": 134325,
"number_observations_unique": 34869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [3.520,3.400],
"number_observations_unique": 3388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "R(meas)",
"value": 0.624
},
{
"type": "R(pim)",
"value": 0.312
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.763
}
]
},
{
"resolution_limits": [3.660,3.520],
"number_observations_unique": 3337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "R(meas)",
"value": 0.516
},
{
"type": "R(pim)",
"value": 0.259
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
},
{
"resolution_limits": [3.830,3.660],
"number_observations_unique": 3365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.410
},
{
"type": "R(pim)",
"value": 0.203
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [4.030,3.830],
"number_observations_unique": 3373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "R(pim)",
"value": 0.169
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [4.280,4.030],
"number_observations_unique": 3454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "R(pim)",
"value": 0.119
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [4.610,4.280],
"number_observations_unique": 3477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [5.080,4.610],
"number_observations_unique": 3566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [5.810,5.080],
"number_observations_unique": 3606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [7.320,5.810],
"number_observations_unique": 3601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [50.000,7.320],
"number_observations_unique": 3702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}