Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "393356787f58dbf2d756d31a33e6f38e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 133.106,
"b": 70.213,
"c": 80.626,
"alpha": 90.00,
"beta": 101.97,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.110,2.100],
"number_observations_unique": 42044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.100],
"number_observations": 6307,
"number_observations_unique": 3214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "R(meas)",
"value": 0.651
},
{
"type": "R(pim)",
"value": 0.460
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
},
{
"resolution_limits": [65.110,8.930],
"number_observations": 1079,
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}