Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b9b77e6de068d852a746f4f53f62c3fa",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 105.105,
"b": 105.105,
"c": 322.150,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.200,2.450],
"number_observations": 1708002,
"number_observations_unique": 77020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.500,2.450],
"number_observations": 102213,
"number_observations_unique": 4521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.954
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.600
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [47.200,12.250],
"number_observations": 13049,
"number_observations_unique": 735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 65.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 17.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}