Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f07518cd4d85f8f9ffa0a83e4cbe2b1",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.660,
"b": 96.722,
"c": 58.028,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.010,1.710],
"number_observations": 166418,
"number_observations_unique": 25496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations": 7579,
"number_observations_unique": 1324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.745
},
{
"type": "R(meas)",
"value": 0.814
},
{
"type": "R(pim)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.827
}
]
},
{
"resolution_limits": [29.010,8.710],
"number_observations": 1403,
"number_observations_unique": 226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 59.100
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}