Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ce557ae2a3f7f6de52c28236d77a5492",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 36.030,
"b": 64.571,
"c": 73.536,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97933],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.770,1.950],
"number_observations_unique": 13064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.950],
"number_observations_unique": 877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.783
},
{
"type": "R(meas)",
"value": 0.838
},
{
"type": "R(pim)",
"value": 0.291
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [36.770,8.920],
"number_observations_unique": 174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}