Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4885130ca6ef6e286bd82f424bba7e66",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 77.037,
"b": 82.699,
"c": 118.782,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.630,3.130],
"number_observations": 89902,
"number_observations_unique": 13951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.210,3.130],
"number_observations_unique": 1032,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.452
},
{
"type": "R(meas)",
"value": 1.581
},
{
"type": "R(pim)",
"value": 0.618
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.679
}
]
},
{
"resolution_limits": [64.630,14.000],
"number_observations_unique": 195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}