Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c329ae51d3d771b1b940649c6a9ef02e",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 80.517,
"b": 80.517,
"c": 85.165,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.39,2.500],
"number_observations_unique": 11406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
"refln_shells": [
{
"resolution_limits": [2.570,2.500],
"number_observations": 5473,
"number_observations_unique": 813,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.016
},
{
"type": "R(meas)",
"value": 1.100
},
{
"type": "R(pim)",
"value": 0.418
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [36.390,11.180],
"number_observations": 853,
"number_observations_unique": 156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
}
]
}