Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bb247a9bb6c8846dcae1ac15711424a8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.45,
"b": 56.16,
"c": 101.92,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.9600,1.330],
"number_observations": 472350,
"number_observations_unique": 71135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.330],
"number_observations": 25638,
"number_observations_unique": 4479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.677
},
{
"type": "R(meas)",
"value": 0.745
},
{
"type": "R(pim)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 83.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [55.450,5.950],
"number_observations": 6033,
"number_observations_unique": 954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 52.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}