Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4c3309228bd5c92c33e1b8a615533ba",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 57.894,
"b": 57.894,
"c": 395.786,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [198.040,1.600],
"number_observations": 941087,
"number_observations_unique": 54030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 56141,
"number_observations_unique": 3880,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.642
},
{
"type": "R(meas)",
"value": 2.739
},
{
"type": "R(pim)",
"value": 0.715
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.538
}
]
},
{
"resolution_limits": [198.040,7.160],
"number_observations": 11303,
"number_observations_unique": 814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}