Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c4a68c7f7f41c6eecaa6ed12027529df",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.758,
"b": 53.407,
"c": 44.415,
"alpha": 90.00,
"beta": 101.08,
"gamma": 90.00
},
"wavelengths": [0.91257],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.81,1.59],
"number_observations": 106287,
"number_observations_unique": 35127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.62,1.59],
"number_observations": 4238,
"number_observations_unique": 1737,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.013
},
{
"type": "R(meas)",
"value": 1.278
},
{
"type": "R(pim)",
"value": 0.770
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Redundancy",
"value": 2.4
},
{
"type": "CC(1/2)",
"value": 0.360
}
]
}
]
}