Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "865b726b64e69fa532c2121edfaa1cf1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.34,
"b": 56.44,
"c": 101.75,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.870,1.690],
"number_observations": 243182,
"number_observations_unique": 35508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.690],
"number_observations": 18429,
"number_observations_unique": 2588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.794
},
{
"type": "R(meas)",
"value": 0.857
},
{
"type": "R(pim)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [50.870,7.560],
"number_observations": 3000,
"number_observations_unique": 483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 51.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}