Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ce0e8c3583a2f2cf5d1b39b7f0f442bb",
"space_group_name": "P 1",
"unit_cell": {
"a": 69.409,
"b": 102.679,
"c": 104.344,
"alpha": 114.10,
"beta": 96.74,
"gamma": 105.23
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.05],
"number_observations_unique": 144733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 7.92
},
{
"type": "Completeness",
"value": 94.9
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
"refln_shells": [
{
"resolution_limits": [2.09,2.05],
"number_observations_unique": 5583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.671
},
{
"type": "R(meas)",
"value": 0.823
},
{
"type": "R(pim)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 1.44
},
{
"type": "Completeness",
"value": 73.2
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.49
}
]
}
]
}