Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8fb5a48c29c07a04253a8368cda475bf",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 120.885,
"b": 120.885,
"c": 33.829,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.480,1.570],
"number_observations": 463192,
"number_observations_unique": 34875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 29.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.570],
"number_observations": 109019,
"number_observations_unique": 7899,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.001
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [85.480,3.850],
"number_observations": 31650,
"number_observations_unique": 2624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 112.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}