Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4ac73b44db939c90cf9d7846cc8dd6f",
"space_group_name": "I 21 3",
"unit_cell": {
"a": 169.058,
"b": 169.058,
"c": 169.058,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.10510],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.800,3.400],
"number_observations": 110336,
"number_observations_unique": 11207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [3.670,3.400],
"number_observations": 22741,
"number_observations_unique": 2280,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.392
},
{
"type": "R(meas)",
"value": 1.469
},
{
"type": "R(pim)",
"value": 0.462
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [48.800,9.000],
"number_observations": 5740,
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 59.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}