Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "28e944f72a4f758107699fee0f97cde8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.72,
"b": 45.41,
"c": 83.60,
"alpha": 90.00,
"beta": 102.27,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.670,1.950],
"number_observations": 111962,
"number_observations_unique": 33337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 8115,
"number_observations_unique": 2449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.652
},
{
"type": "R(meas)",
"value": 0.784
},
{
"type": "R(pim)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.687
}
]
},
{
"resolution_limits": [42.670,8.720],
"number_observations": 1418,
"number_observations_unique": 416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 36.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}