Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b53829d753d52a16844d4d2b726cf5f1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.238,
"b": 79.721,
"c": 94.600,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.6,2.296],
"number_observations_unique": 20255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 13.5
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [47.30,8.59],
"number_observations_unique": 450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 48.1
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 9.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.38,2.296],
"number_observations_unique": 2032,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.711
},
{
"type": "R(meas)",
"value": 2.956
},
{
"type": "R(pim)",
"value": 1.163
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 11.9
},
{
"type": "CC(1/2)",
"value": 0.559
}
]
}
]
}