Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad553df6505e724767b8b7ec82f72589",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.580,
"b": 56.577,
"c": 101.796,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.100,2.180],
"number_observations": 106149,
"number_observations_unique": 17135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.180],
"number_observations": 6222,
"number_observations_unique": 1179,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.369
},
{
"type": "R(meas)",
"value": 1.531
},
{
"type": "R(pim)",
"value": 0.673
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [29.100,9.770],
"number_observations": 1338,
"number_observations_unique": 232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 47.000
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}