Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2e0efc5f0a876c33408fda2e8bf99fa8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 76.034,
"b": 59.862,
"c": 101.843,
"alpha": 90.00,
"beta": 94.55,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.870,2.000],
"number_observations_unique": 61417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 18165,
"number_observations_unique": 4483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.738
},
{
"type": "R(meas)",
"value": 0.847
},
{
"type": "R(pim)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [19.870,8.940],
"number_observations": 2497,
"number_observations_unique": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 47.000
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}