Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c676c48205948e1afcb9829236762db6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.418,
"b": 56.512,
"c": 101.867,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.110,1.470],
"number_observations": 364344,
"number_observations_unique": 55039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.470],
"number_observations": 26246,
"number_observations_unique": 3942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.799
},
{
"type": "R(meas)",
"value": 0.865
},
{
"type": "R(pim)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [29.110,6.570],
"number_observations": 4539,
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 70.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}