Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "4e17b29bb9b1fe4e2ee7df57ac880c4b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.393,
"b": 160.067,
"c": 200.964,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [200.96,2.04],
"number_observations_unique": 172235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 13.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [200.96,11.17],
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.2
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 9.1
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.07,2.04],
"number_observations_unique": 8501,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.020
},
{
"type": "R(meas)",
"value": 7.703
},
{
"type": "R(pim)",
"value": 3.130
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.3
},
{
"type": "CC(1/2)",
"value": 0.389
}
]
}
]
}