Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8bbae334e6d5f76a086db0f8943b0ef8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.380,
"b": 74.873,
"c": 46.938,
"alpha": 90.00,
"beta": 122.08,
"gamma": 90.00
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.770,1.450],
"number_observations": 307359,
"number_observations_unique": 45569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 13635,
"number_observations_unique": 2203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.621
},
{
"type": "R(meas)",
"value": 0.678
},
{
"type": "R(pim)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.859
}
]
},
{
"resolution_limits": [39.770,7.940],
"number_observations": 2024,
"number_observations_unique": 299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 34.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}