Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fa67c3a67ec2e5ebe5bb7a47a639bc69",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.184,
"b": 95.184,
"c": 45.850,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.280,1.300],
"number_observations": 560966,
"number_observations_unique": 49465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 9093,
"number_observations_unique": 1990,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.589
},
{
"type": "R(meas)",
"value": 1.795
},
{
"type": "R(pim)",
"value": 0.809
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 81.200
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.300
}
]
},
{
"resolution_limits": [67.280,7.120],
"number_observations": 4184,
"number_observations_unique": 340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 98.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}