Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c0e3cf61b1cbca4668e9618dcd02cb4",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 62.552,
"b": 75.988,
"c": 118.247,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.292,1.448],
"number_observations": 112187,
"number_observations_unique": 25869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.624,1.448],
"number_observations": 6930,
"number_observations_unique": 1293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.687
},
{
"type": "R(meas)",
"value": 0.760
},
{
"type": "R(pim)",
"value": 0.320
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 82.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
},
{
"resolution_limits": [55.292,5.038],
"number_observations": 5275,
"number_observations_unique": 1293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 57.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}