Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "064e50ccb0a5f23d66ec254a21f110b1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 30.768,
"b": 72.566,
"c": 55.128,
"alpha": 90.00,
"beta": 105.85,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.28,1.250],
"number_observations_unique": 30799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.250],
"number_observations": 20965,
"number_observations_unique": 6213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "R(meas)",
"value": 0.529
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.859
}
]
},
{
"resolution_limits": [36.280,3.320],
"number_observations": 5334,
"number_observations_unique": 1679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 44.200
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}