Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f1c0b291cfb6df54ba5e789360789098",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 59.99,
"b": 59.99,
"c": 110.22,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.110,1.650],
"number_observations": 315135,
"number_observations_unique": 24822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations": 20912,
"number_observations_unique": 1774,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.315
},
{
"type": "R(meas)",
"value": 2.421
},
{
"type": "R(pim)",
"value": 0.698
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.606
}
]
},
{
"resolution_limits": [55.110,7.380],
"number_observations": 3689,
"number_observations_unique": 349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 45.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}