Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "69311e31eb34c1dfd04ad90cb8afc7ee",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.486,
"b": 71.486,
"c": 150.419,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.420,1.140],
"number_observations": 1143741,
"number_observations_unique": 120620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.160,1.140],
"number_observations": 502,
"number_observations_unique": 448,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.896
},
{
"type": "R(meas)",
"value": 5.461
},
{
"type": "R(pim)",
"value": 3.820
},
{
"type": "I/SigI",
"value": 0.100
},
{
"type": "Completeness",
"value": 6.600
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [29.420,6.260],
"number_observations": 12806,
"number_observations_unique": 1025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 84.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.500
}
]
}
]
}