Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "625f3ee118c05d5b28b74812d8c2817b",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 102.79,
"b": 137.75,
"c": 178.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07816],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.630,2.520],
"number_observations": 239412,
"number_observations_unique": 42869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.520],
"number_observations": 17734,
"number_observations_unique": 3127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.674
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [54.630,11.270],
"number_observations": 2513,
"number_observations_unique": 529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 54.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}