Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f9128a3ddd791cb6aaa791788eb1a6cb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.93,
"b": 73.73,
"c": 100.83,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.620,1.710],
"number_observations": 454378,
"number_observations_unique": 33572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.710],
"number_observations_unique": 2425,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.767
},
{
"type": "R(meas)",
"value": 2.869
},
{
"type": "R(pim)",
"value": 0.754
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.493
}
]
},
{
"resolution_limits": [41.620,7.650],
"number_observations_unique": 457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}