Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "73f83fe82c92a81bcbea5468d1de8d7c",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 109.065,
"b": 109.065,
"c": 84.791,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.05,2.02],
"number_observations_unique": 34175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 17.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [57.05,9.03],
"number_observations_unique": 468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 63.8
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 15.5
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.07,2.02],
"number_observations_unique": 2454,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.949
},
{
"type": "R(meas)",
"value": 4.177
},
{
"type": "R(pim)",
"value": 1.354
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 18.1
},
{
"type": "CC(1/2)",
"value": 0.309
}
]
}
]
}