Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "752b53d307a93fde48a617a41fa4d69a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.519,
"b": 87.050,
"c": 135.961,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.671,1.780],
"number_observations": 227187,
"number_observations_unique": 65840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 10.720
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.451
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.780],
"number_observations_unique": 10533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "R(meas)",
"value": 0.942
},
{
"type": "I/SigI",
"value": 1.360
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.278
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [2.020,1.890],
"number_observations_unique": 10175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "R(meas)",
"value": 0.462
},
{
"type": "I/SigI",
"value": 2.880
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.380
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [2.180,2.020],
"number_observations_unique": 9454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 5.340
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.510
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.390,2.180],
"number_observations_unique": 8605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 8.150
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.456
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.670,2.390],
"number_observations_unique": 7761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 11.050
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.341
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.090,2.670],
"number_observations_unique": 6803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 16.120
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.550
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.780,3.090],
"number_observations_unique": 5705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 24.130
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 3.670
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.320,3.780],
"number_observations_unique": 4343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 29.880
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 3.517
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [46.671,5.320],
"number_observations_unique": 2461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 32.020
},
{
"type": "Completeness",
"value": 87.100
},
{
"type": "Redundancy",
"value": 3.679
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}