Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eb5685e458ef60dc08a72e31caf2bc3c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.046,
"b": 56.178,
"c": 101.698,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.020,1.440],
"number_observations": 377408,
"number_observations_unique": 56899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 24.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.440],
"number_observations": 26323,
"number_observations_unique": 3971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.657
},
{
"type": "R(meas)",
"value": 0.712
},
{
"type": "R(pim)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [29.020,6.430],
"number_observations": 4687,
"number_observations_unique": 748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 80.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}