Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fa08665f01872954dbc5d6d06d47ca2c",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 52.79,
"b": 52.79,
"c": 108.82,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.650,2.000],
"number_observations": 40044,
"number_observations_unique": 12244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 2350,
"number_observations_unique": 910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.637
},
{
"type": "R(meas)",
"value": 0.797
},
{
"type": "R(pim)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 1.70
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.465
}
]
},
{
"resolution_limits": [19.650,8.950],
"number_observations": 586,
"number_observations_unique": 146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 34.500
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}