Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d37891e9125ee0919cb56802571db3ac",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.12,
"b": 85.92,
"c": 59.07,
"alpha": 90.00,
"beta": 117.23,
"gamma": 90.00
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.520,1.590],
"number_observations": 924863,
"number_observations_unique": 67734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 27.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.590],
"number_observations": 67158,
"number_observations_unique": 4963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.677
},
{
"type": "R(pim)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [52.520,7.120],
"number_observations": 10241,
"number_observations_unique": 800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 102.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}