Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "006f61cef45875b5e65d100c94b1a6c6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.193,
"b": 53.535,
"c": 44.501,
"alpha": 90.00,
"beta": 101.15,
"gamma": 90.00
},
"wavelengths": [0.91267],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.02,1.65],
"number_observations": 103137,
"number_observations_unique": 31755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 12.1
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.68,1.65],
"number_observations": 4468,
"number_observations_unique": 1558,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.280
},
{
"type": "R(meas)",
"value": 1.586
},
{
"type": "R(pim)",
"value": 0.925
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.328
}
]
}
]
}