Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8520d6a21c2deea05abdf9df6a2bd449",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 179.380,
"b": 107.415,
"c": 71.973,
"alpha": 90.00,
"beta": 113.65,
"gamma": 90.00
},
"wavelengths": [0.97741],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.790,3.200],
"number_observations": 141221,
"number_observations_unique": 20707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.420,3.200],
"number_observations": 26120,
"number_observations_unique": 3748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "R(meas)",
"value": 0.628
},
{
"type": "R(pim)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [48.790,9.050],
"number_observations": 5531,
"number_observations_unique": 923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}