Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a43a1b2f627fafe38709b6af0477f5ea",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.08,
"b": 82.70,
"c": 103.86,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.52120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.110,1.620],
"number_observations": 341149,
"number_observations_unique": 52537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.620],
"number_observations": 15224,
"number_observations_unique": 2405,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.480
},
{
"type": "R(meas)",
"value": 1.611
},
{
"type": "R(pim)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.629
}
]
},
{
"resolution_limits": [45.110,8.870],
"number_observations": 2179,
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 59.300
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}