Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00fecc19895c8e250d5b1703df51bcee",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 173.883,
"b": 55.334,
"c": 49.670,
"alpha": 90.00,
"beta": 91.52,
"gamma": 90.00
},
"wavelengths": [1.03400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.440,1.800],
"number_observations": 151005,
"number_observations_unique": 42472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 5010,
"number_observations_unique": 2012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(pim)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 77.100
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.799
}
]
},
{
"resolution_limits": [29.440,9.010],
"number_observations": 1263,
"number_observations_unique": 371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 37.900
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}