Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3231d6a96e437b89ce29ec337b99332",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.030,
"b": 53.510,
"c": 44.436,
"alpha": 90.0,
"beta": 100.8,
"gamma": 90.0
},
"wavelengths": [0.91258],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.01,1.50],
"number_observations": 123490,
"number_observations_unique": 40143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 95.6
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
"refln_shells": [
{
"resolution_limits": [1.53,1.50],
"number_observations": 4183,
"number_observations_unique": 1793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.918
},
{
"type": "R(meas)",
"value": 1.184
},
{
"type": "R(pim)",
"value": 0.734
},
{
"type": "I/SigI",
"value": 0.4
},
{
"type": "Redundancy",
"value": 2.3
},
{
"type": "CC(1/2)",
"value": 0.420
}
]
}
]
}