Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "390f5b1b51f9b6810502a8bd0cc6bc60",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 138.06,
"b": 65.23,
"c": 70.34,
"alpha": 90.00,
"beta": 96.84,
"gamma": 90.00
},
"wavelengths": [0.96859],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.650,2.100],
"number_observations_unique": 36377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"number_observations": 12301,
"number_observations_unique": 2655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.686
},
{
"type": "R(meas)",
"value": 0.774
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [24.650,9.390],
"number_observations": 3551,
"number_observations_unique": 416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 51.900
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}