Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f73c6d47f3e804751eea29602027bdf2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.008,
"b": 53.385,
"c": 44.398,
"alpha": 90.00,
"beta": 100.76,
"gamma": 90.00
},
"wavelengths": [0.91256],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.02,1.59],
"number_observations": 104407,
"number_observations_unique": 35058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.614
}
]
},
"refln_shells": [
{
"resolution_limits": [1.62,1.59],
"number_observations": 4235,
"number_observations_unique": 1748,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.004
},
{
"type": "R(meas)",
"value": 1.276
},
{
"type": "R(pim)",
"value": 0.780
},
{
"type": "I/SigI",
"value": 0.3
},
{
"type": "Redundancy",
"value": 2.4
},
{
"type": "CC(1/2)",
"value": 0.331
}
]
}
]
}