Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "24540cac55a2b464bb79d5b2e15cc692",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 63.383,
"b": 75.341,
"c": 119.008,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.66,1.683],
"number_observations_unique": 128030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.893,1.683],
"number_observations": 4410,
"number_observations_unique": 862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.845
},
{
"type": "R(meas)",
"value": 0.942
},
{
"type": "R(pim)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 75.100
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.721
}
]
},
{
"resolution_limits": [63.657,5.666],
"number_observations": 3045,
"number_observations_unique": 862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}