Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "745e75a768181ab246e52362556eb3a3",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.63,
"b": 83.63,
"c": 133.87,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.990,2.560],
"number_observations": 357505,
"number_observations_unique": 18049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.630,2.560],
"number_observations": 27774,
"number_observations_unique": 1326,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.045
},
{
"type": "R(meas)",
"value": 2.096
},
{
"type": "R(pim)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.900
},
{
"type": "CC(1/2)",
"value": 0.824
}
]
},
{
"resolution_limits": [37.990,11.450],
"number_observations": 3015,
"number_observations_unique": 239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 56.100
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}