Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e84293e2db2da411e5e2bad862031cac",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 74.179,
"b": 74.179,
"c": 174.678,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.670,1.060],
"number_observations": 1293202,
"number_observations_unique": 250525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.080,1.060],
"number_observations": 40449,
"number_observations_unique": 10927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.620
},
{
"type": "R(pim)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.694
}
]
},
{
"resolution_limits": [43.670,5.800],
"number_observations": 9230,
"number_observations_unique": 1747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 47.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}