Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f02f22ead07a7de4f76b1a601ea853bd",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 123.840,
"b": 123.840,
"c": 127.128,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.62,1.65],
"number_observations_unique": 118646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 14.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 16.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [34.62,9.04],
"number_observations_unique": 842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 66.0
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 14.3
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.68,1.65],
"number_observations_unique": 5811,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.414
},
{
"type": "R(meas)",
"value": 3.634
},
{
"type": "R(pim)",
"value": 1.239
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 16.5
},
{
"type": "CC(1/2)",
"value": 0.356
}
]
}
]
}