Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ff0cbff11ad8810fe43005e2545a0f3",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.119,
"b": 70.182,
"c": 85.413,
"alpha": 102.61,
"beta": 96.08,
"gamma": 112.48
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.440,1.790],
"number_observations": 362674,
"number_observations_unique": 110365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.790],
"number_observations": 13833,
"number_observations_unique": 5137,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.657
},
{
"type": "R(meas)",
"value": 2.103
},
{
"type": "R(pim)",
"value": 1.267
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.246
}
]
},
{
"resolution_limits": [81.440,9.790],
"number_observations": 2618,
"number_observations_unique": 687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 32.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}