Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "c44f68dd247fb14f34198f36ed1dd41e",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.95,
"b": 81.95,
"c": 135.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.040,2.120],
"number_observations": 607380,
"number_observations_unique": 30510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.120],
"number_observations": 44833,
"number_observations_unique": 2222,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.943
},
{
"type": "R(meas)",
"value": 1.992
},
{
"type": "R(pim)",
"value": 0.439
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.200
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [38.040,9.480],
"number_observations": 5803,
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 53.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 14.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}