Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c0948710541e837112abd85141d17cc",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.149,
"b": 112.019,
"c": 62.680,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.240,1.470],
"number_observations": 594758,
"number_observations_unique": 48301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.470],
"number_observations": 25334,
"number_observations_unique": 2286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.966
},
{
"type": "R(meas)",
"value": 1.013
},
{
"type": "R(pim)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.627
}
]
},
{
"resolution_limits": [66.240,8.050],
"number_observations": 4284,
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
}
]
}