Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dbd692d35bbef6e2f2adb6950ad82be0",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.108,
"b": 71.108,
"c": 149.776,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.270,1.610],
"number_observations": 655261,
"number_observations_unique": 50763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.610],
"number_observations": 27491,
"number_observations_unique": 2291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.838
},
{
"type": "R(meas)",
"value": 0.874
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [29.270,8.800],
"number_observations": 4155,
"number_observations_unique": 386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 60.900
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}