Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa11b0fee38335784fe377194b6a0503",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.327,
"b": 70.886,
"c": 185.715,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.630,2.020],
"number_observations": 495423,
"number_observations_unique": 37693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.020],
"number_observations": 50096,
"number_observations_unique": 3605,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.814
},
{
"type": "R(meas)",
"value": 1.884
},
{
"type": "R(pim)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.596
}
]
},
{
"resolution_limits": [46.630,7.820],
"number_observations": 8575,
"number_observations_unique": 765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}