Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de25f54368bf6aa75c9d871c3ed94eb1",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.536,
"b": 71.536,
"c": 150.903,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.450,1.720],
"number_observations": 558956,
"number_observations_unique": 42638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.720],
"number_observations": 27462,
"number_observations_unique": 2168,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.043
},
{
"type": "R(meas)",
"value": 1.086
},
{
"type": "R(pim)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.810
}
]
},
{
"resolution_limits": [29.450,9.090],
"number_observations": 3924,
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 91.400
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}