Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c465f52b817bb7f5dad152a2df5c39c3",
"space_group_name": "P 41 3 2",
"unit_cell": {
"a": 168.37,
"b": 168.37,
"c": 168.37,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.600,2.300],
"number_observations": 731556,
"number_observations_unique": 36823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 57365,
"number_observations_unique": 3567,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.759
},
{
"type": "R(pim)",
"value": 0.449
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.100
},
{
"type": "CC(1/2)",
"value": 0.657
}
]
},
{
"resolution_limits": [48.600,8.910],
"number_observations": 15433,
"number_observations_unique": 762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 65.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 20.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}