Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ff8b1ec7fad4bedaac875d786b20c1e2",
"space_group_name": "P 65",
"unit_cell": {
"a": 104.35,
"b": 104.35,
"c": 139.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.93220],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.630,2.800],
"number_observations": 129102,
"number_observations_unique": 21231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.990,2.800],
"number_observations": 23990,
"number_observations_unique": 3865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [69.630,7.920],
"number_observations": 5317,
"number_observations_unique": 935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 55.200
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}