Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "194ab8de1b441604d4c0d113137d4f4c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.83,
"b": 85.59,
"c": 126.71,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.920,1.490],
"number_observations": 542419,
"number_observations_unique": 82220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.490],
"number_observations": 40485,
"number_observations_unique": 6026,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.229
},
{
"type": "R(meas)",
"value": 1.332
},
{
"type": "R(pim)",
"value": 0.509
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.576
}
]
},
{
"resolution_limits": [50.920,6.660],
"number_observations": 6670,
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 52.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}