Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bde69ef631175dec1a7a4e7c23ed8fc4",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 78.269,
"b": 102.270,
"c": 128.670,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.060,2.750],
"number_observations": 41156,
"number_observations_unique": 12761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.900,2.750],
"number_observations": 6082,
"number_observations_unique": 1884,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.674
},
{
"type": "R(meas)",
"value": 1.997
},
{
"type": "R(pim)",
"value": 1.064
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.597
}
]
},
{
"resolution_limits": [80.060,8.700],
"number_observations": 1330,
"number_observations_unique": 420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}