Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "599caf4fefe3f58436af105af0a4513b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.48,
"b": 105.88,
"c": 85.39,
"alpha": 90.00,
"beta": 96.92,
"gamma": 90.00
},
"wavelengths": [0.98240],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.900,2.800],
"number_observations": 86063,
"number_observations_unique": 24069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.800],
"number_observations": 4643,
"number_observations_unique": 1733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.789
},
{
"type": "R(pim)",
"value": 0.542
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.424
}
]
},
{
"resolution_limits": [44.900,12.520],
"number_observations": 1039,
"number_observations_unique": 266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}