Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "392cfde5e75530f1fb81e505c845d3a2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.304,
"b": 53.756,
"c": 44.197,
"alpha": 90.00,
"beta": 100.88,
"gamma": 90.00
},
"wavelengths": [0.91258],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.11,1.72],
"number_observations": 90634,
"number_observations_unique": 28064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.75,1.72],
"number_observations": 4145,
"number_observations_unique": 1472,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.082
},
{
"type": "R(meas)",
"value": 1.333
},
{
"type": "R(pim)",
"value": 0.769
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.342
}
]
}
]
}