Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e940fecaa1134688046d8aadc34e3e6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 122.605,
"b": 51.154,
"c": 111.943,
"alpha": 90.00,
"beta": 115.96,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.650,1.450],
"number_observations": 292987,
"number_observations_unique": 99699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 5649,
"number_observations_unique": 2892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.557
},
{
"type": "R(pim)",
"value": 0.464
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 53.100
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.641
}
]
},
{
"resolution_limits": [100.650,7.940],
"number_observations": 2308,
"number_observations_unique": 695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 32.100
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}