Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a95c87b40d4e5eb68865e6a5a5fcdeb1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.727,
"b": 107.515,
"c": 115.080,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97911],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [115.080,2.180],
"number_observations": 375490,
"number_observations_unique": 52327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.180],
"number_observations": 13826,
"number_observations_unique": 2139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 46.200
},
{
"type": "Completeness",
"value": 47.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.597
}
]
},
{
"resolution_limits": [115.080,9.260],
"number_observations": 4981,
"number_observations_unique": 805,
"quality_factors": [
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}