Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84e46f7a78d647f2148ed68cbaf857d5",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 91.14,
"b": 91.14,
"c": 94.21,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [94.070,2.710],
"number_observations": 63741,
"number_observations_unique": 12618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.860,2.710],
"number_observations": 8825,
"number_observations_unique": 1817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.893
},
{
"type": "R(pim)",
"value": 0.450
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.637
}
]
},
{
"resolution_limits": [94.070,8.570],
"number_observations": 2062,
"number_observations_unique": 460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 24.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}