Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c07ee820284dbb99f7b8e04ae71c6801",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 59.500,
"b": 59.500,
"c": 93.489,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.520],
"number_observations": 172564,
"number_observations_unique": 13248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.520],
"number_observations_unique": 1298,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.680
},
{
"type": "R(meas)",
"value": 2.796
},
{
"type": "R(pim)",
"value": 0.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.762
}
]
},
{
"resolution_limits": [1.640,1.570],
"number_observations_unique": 1295,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.739
},
{
"type": "R(meas)",
"value": 1.807
},
{
"type": "R(pim)",
"value": 0.489
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.899
}
]
},
{
"resolution_limits": [1.710,1.640],
"number_observations_unique": 1299,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.054
},
{
"type": "R(meas)",
"value": 1.094
},
{
"type": "R(pim)",
"value": 0.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [1.800,1.710],
"number_observations_unique": 1311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.901
},
{
"type": "R(meas)",
"value": 0.935
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [1.910,1.800],
"number_observations_unique": 1313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "R(meas)",
"value": 0.575
},
{
"type": "R(pim)",
"value": 0.153
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.060,1.910],
"number_observations_unique": 1306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.324
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.270,2.060],
"number_observations_unique": 1321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.600,2.270],
"number_observations_unique": 1340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.270,2.600],
"number_observations_unique": 1353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [30.000,3.270],
"number_observations_unique": 1412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}