Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "51f885bd0f7e801a99aa9cc5b82cc4cb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.472,
"b": 98.623,
"c": 58.939,
"alpha": 90.00,
"beta": 108.21,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.690,1.650],
"number_observations": 248528,
"number_observations_unique": 72217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 9515,
"number_observations_unique": 3510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [48.690,9.040],
"number_observations": 1638,
"number_observations_unique": 464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
}
]
}