Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c95f3ccfdd6e636fc82fdb58e1818ea5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 74.13,
"b": 130.94,
"c": 123.39,
"alpha": 90.00,
"beta": 101.88,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.470,2.560],
"number_observations": 168193,
"number_observations_unique": 68702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.630,2.560],
"number_observations": 12681,
"number_observations_unique": 5162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "R(meas)",
"value": 0.592
},
{
"type": "R(pim)",
"value": 0.359
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [65.470,11.450],
"number_observations": 1858,
"number_observations_unique": 756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}