Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ae9eca682ba5c38649d27b35ea01c338",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.533,
"b": 50.423,
"c": 51.967,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.97,1.49],
"number_observations_unique": 17131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 15.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [51.97,8.16],
"number_observations_unique": 139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 24.2
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.52,1.49],
"number_observations_unique": 820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(meas)",
"value": 0.473
},
{
"type": "R(pim)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.3
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
}
]
}