Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "395f205962b9d869c166a66cde820848",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 125.22,
"b": 125.22,
"c": 41.27,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [108.440,1.740],
"number_observations": 384426,
"number_observations_unique": 38283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.740],
"number_observations": 25533,
"number_observations_unique": 2823,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.481
},
{
"type": "R(meas)",
"value": 1.571
},
{
"type": "R(pim)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.711
}
]
},
{
"resolution_limits": [108.440,7.780],
"number_observations": 4431,
"number_observations_unique": 474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 31.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}