Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9d7e28795a54c0349c76d23b7b36c3b2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.555,
"b": 56.955,
"c": 64.899,
"alpha": 90.00,
"beta": 94.69,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.15,1.15],
"number_observations": 449543,
"number_observations_unique": 84455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 26.1
},
{
"type": "Completeness",
"value": 75.7
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.17,1.15],
"number_observations": 302,
"number_observations_unique": 299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "R(meas)",
"value": 0.718
},
{
"type": "R(pim)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Redundancy",
"value": 1.0
},
{
"type": "CC(1/2)",
"value": 0.630
}
]
}
]
}