Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c8a848cf515ef8a1411a0b23fefbf66",
"space_group_name": "I 21 3",
"unit_cell": {
"a": 78.234,
"b": 78.234,
"c": 78.234,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.82650],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.120,0.970],
"number_observations": 221969,
"number_observations_unique": 46800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.990,0.970],
"number_observations": 5506,
"number_observations_unique": 2059,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.563
},
{
"type": "R(pim)",
"value": 1.732
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.128
}
]
},
{
"resolution_limits": [39.120,5.310],
"number_observations": 1657,
"number_observations_unique": 317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 76.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}