Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b0db4fd631fe0603044aaef3cbe8a4c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.999,
"b": 53.142,
"c": 44.480,
"alpha": 90.00,
"beta": 102.97,
"gamma": 90.00
},
"wavelengths": [0.91266],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.10,1.64],
"number_observations": 101429,
"number_observations_unique": 31502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
"refln_shells": [
{
"resolution_limits": [1.67,1.64],
"number_observations": 4246,
"number_observations_unique": 1492,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.115
},
{
"type": "R(meas)",
"value": 1.366
},
{
"type": "R(pim)",
"value": 0.778
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.318
}
]
}
]
}