Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "b988a49cde15c98bdc27918c98ed068f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.70,
"b": 87.26,
"c": 103.13,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.76010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.56,1.4],
"number_observations_unique": 132964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [51.56,7.67],
"number_observations": 10534,
"number_observations_unique": 941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 49.4
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 11.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.42,1.4],
"number_observations": 86861,
"number_observations_unique": 6486,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.83
},
{
"type": "R(meas)",
"value": 4.144
},
{
"type": "R(pim)",
"value": 1.575
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.4
},
{
"type": "CC(1/2)",
"value": 0.501
}
]
}
]
}