Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4b0e024d8ca48ffcaa8289357d283155",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.341,
"b": 57.872,
"c": 49.728,
"alpha": 90.00,
"beta": 112.06,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.960,2.100],
"number_observations": 50969,
"number_observations_unique": 15305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 4407,
"number_observations_unique": 1289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.720
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.599
}
]
},
{
"resolution_limits": [46.960,8.910],
"number_observations": 658,
"number_observations_unique": 199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 25.400
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}