Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "301b78a0e9153e08950b319353c417cb",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 75.926,
"b": 74.606,
"c": 119.042,
"alpha": 90.00,
"beta": 96.79,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.650,1.6499],
"number_observations": 174200,
"number_observations_unique": 77162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.6499],
"number_observations": 4489,
"number_observations_unique": 2939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "R(pim)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 75.600
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.736
}
]
},
{
"resolution_limits": [19.650,9.040],
"number_observations": 1040,
"number_observations_unique": 435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 44.700
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}