Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3acb60e3e937f76a7c9712bf68f293ec",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.413,
"b": 71.413,
"c": 150.777,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.410,1.440],
"number_observations": 916399,
"number_observations_unique": 69938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.440],
"number_observations": 36134,
"number_observations_unique": 3337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.775
},
{
"type": "R(meas)",
"value": 0.813
},
{
"type": "R(pim)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.806
}
]
},
{
"resolution_limits": [29.410,7.740],
"number_observations": 6000,
"number_observations_unique": 550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 57.800
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}