Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b415493f6b2eecc4e5caad6079e023b2",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 121.29,
"b": 121.29,
"c": 33.83,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97943],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.240,1.760],
"number_observations": 325220,
"number_observations_unique": 25717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 29.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.760],
"number_observations": 24227,
"number_observations_unique": 1860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.905
},
{
"type": "R(pim)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [54.240,7.870],
"number_observations": 3521,
"number_observations_unique": 359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 68.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}