Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "63b914b658378437a2cdb44a77b3fab2",
"space_group_name": "I 4",
"unit_cell": {
"a": 97.06,
"b": 97.06,
"c": 80.22,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.910,1.290],
"number_observations_unique": 88617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.290],
"number_observations": 6895,
"number_observations_unique": 4552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.576
},
{
"type": "R(meas)",
"value": 0.786
},
{
"type": "R(pim)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 66.200
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.571
}
]
},
{
"resolution_limits": [61.830,5.770],
"number_observations": 6872,
"number_observations_unique": 1086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 46.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}