Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a57fc8241c2d94b6a27c7e6b79dce53b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.60,
"b": 45.34,
"c": 83.25,
"alpha": 90.00,
"beta": 102.24,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.680,1.620],
"number_observations": 201651,
"number_observations_unique": 58568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.620],
"number_observations": 15323,
"number_observations_unique": 4362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.558
},
{
"type": "R(meas)",
"value": 0.660
},
{
"type": "R(pim)",
"value": 0.348
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [40.680,7.240],
"number_observations": 2426,
"number_observations_unique": 708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 40.000
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}