Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "c056186551128e9bba4f527c6f925ea1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 145.681,
"b": 71.013,
"c": 90.344,
"alpha": 90.00,
"beta": 121.83,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.910,2.500],
"number_observations": 112758,
"number_observations_unique": 27019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 13030,
"number_observations_unique": 3053,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.519
},
{
"type": "R(meas)",
"value": 1.739
},
{
"type": "R(pim)",
"value": 0.830
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.348
}
]
},
{
"resolution_limits": [44.910,9.010],
"number_observations": 2490,
"number_observations_unique": 610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}