Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8ecf8ec05f3005c1ae672a1ab368ed6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.165,
"b": 60.420,
"c": 65.569,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.820,1.820],
"number_observations": 114656,
"number_observations_unique": 17405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.820],
"number_observations": 8277,
"number_observations_unique": 1223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.779
},
{
"type": "R(meas)",
"value": 0.843
},
{
"type": "R(pim)",
"value": 0.319
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [28.820,8.160],
"number_observations": 1286,
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 52.600
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}