Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d99511fafb06bfe3fcb34d0fcca328f5",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.250,
"b": 71.250,
"c": 149.838,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.320,1.450],
"number_observations": 873266,
"number_observations_unique": 68489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.450],
"number_observations": 29790,
"number_observations_unique": 3166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.845
},
{
"type": "R(meas)",
"value": 0.893
},
{
"type": "R(pim)",
"value": 0.281
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [29.320,7.960],
"number_observations": 5445,
"number_observations_unique": 510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 67.300
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}