Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76a26aa44bb59b9a76ff751f421e9622",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 69.68,
"b": 95.88,
"c": 145.95,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.582,2.000],
"number_observations": 337175,
"number_observations_unique": 66821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 20879,
"number_observations_unique": 4429,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.190
},
{
"type": "R(pim)",
"value": 0.615
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.542
}
]
},
{
"resolution_limits": [52.580,9.380],
"number_observations": 2973,
"number_observations_unique": 754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}