Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79b0cbbe77b5ed654ed141c6c6f106e7",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.191,
"b": 96.724,
"c": 57.970,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.990,1.770],
"number_observations": 148289,
"number_observations_unique": 22573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 20.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.770],
"number_observations": 6752,
"number_observations_unique": 1171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.948
},
{
"type": "R(meas)",
"value": 1.036
},
{
"type": "R(pim)",
"value": 0.410
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [28.990,9.050],
"number_observations": 1233,
"number_observations_unique": 202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 68.700
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}