Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7aade68742ebdc3245d632e7fb11b039",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.03,
"b": 57.07,
"c": 115.04,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.040,1.480],
"number_observations": 380093,
"number_observations_unique": 57867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.480],
"number_observations": 26615,
"number_observations_unique": 4226,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.586
},
{
"type": "R(meas)",
"value": 1.729
},
{
"type": "R(pim)",
"value": 0.680
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.459
}
]
},
{
"resolution_limits": [21.040,6.620],
"number_observations": 4405,
"number_observations_unique": 720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 47.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}