Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "33fa03b50aeba8771308e081de0dedb6",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 66.32,
"b": 89.45,
"c": 100.00,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.780,1.690],
"number_observations": 419248,
"number_observations_unique": 33644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.690],
"number_observations": 27138,
"number_observations_unique": 2442,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.416
},
{
"type": "R(meas)",
"value": 1.484
},
{
"type": "R(pim)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.693
}
]
},
{
"resolution_limits": [29.780,7.560],
"number_observations": 4052,
"number_observations_unique": 414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 35.700
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}