Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "253d70cc26a7da9e98800ad698bf825d",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.16,
"b": 67.16,
"c": 165.13,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.550,1.650],
"number_observations": 329181,
"number_observations_unique": 27423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 13334,
"number_observations_unique": 1330,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.066
},
{
"type": "R(meas)",
"value": 3.232
},
{
"type": "R(pim)",
"value": 1.008
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.343
}
]
},
{
"resolution_limits": [47.550,9.040],
"number_observations": 2349,
"number_observations_unique": 223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 49.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}