Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8df686591c7e3dfe2a2abcbae0935ad1",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.853,
"b": 96.973,
"c": 58.015,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.010,1.850],
"number_observations": 129337,
"number_observations_unique": 20193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 5120,
"number_observations_unique": 1035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.798
},
{
"type": "R(meas)",
"value": 0.885
},
{
"type": "R(pim)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 82.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [29.010,9.050],
"number_observations": 1247,
"number_observations_unique": 204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 36.600
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}