Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "7c7462e88de49b4eb8105213042ca48d",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 97.043,
"b": 97.043,
"c": 185.372,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.52,1.89],
"number_observations_unique": 35691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 27.4
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 26.4
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [48.52,9.07],
"number_observations_unique": 390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 81.3
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 19.8
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.93,1.89],
"number_observations_unique": 2208,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.467
},
{
"type": "R(meas)",
"value": 1.524
},
{
"type": "R(pim)",
"value": 0.410
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 25.9
},
{
"type": "CC(1/2)",
"value": 0.776
}
]
}
]
}