Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c04e50c8f3c488e2fcee12d3ee0332d0",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 67.92,
"b": 67.92,
"c": 101.97,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.000,1.020],
"number_observations": 2230488,
"number_observations_unique": 111020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.040,1.020],
"number_observations": 2252,
"number_observations_unique": 1270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.909
},
{
"type": "R(meas)",
"value": 1.232
},
{
"type": "R(pim)",
"value": 0.823
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 21.500
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.323
}
]
},
{
"resolution_limits": [51.000,5.590],
"number_observations": 19821,
"number_observations_unique": 889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 42.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 22.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}