Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "71e0278a1176b7ea78e4a48b858fff67",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 233.339,
"b": 65.027,
"c": 124.689,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.320,2.800],
"number_observations": 104259,
"number_observations_unique": 44606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.910,2.800],
"number_observations": 10595,
"number_observations_unique": 4702,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.245
},
{
"type": "R(meas)",
"value": 1.592
},
{
"type": "R(pim)",
"value": 0.980
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.396
}
]
},
{
"resolution_limits": [46.320,10.480],
"number_observations": 1900,
"number_observations_unique": 865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 20.000
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}