Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f6b13e53380f2afdf9af8ee30491e29",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 45.414,
"b": 53.419,
"c": 113.902,
"alpha": 90.00,
"beta": 100.98,
"gamma": 90.00
},
"wavelengths": [0.92370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.20,2.72],
"number_observations": 45350,
"number_observations_unique": 7170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.652
},
{
"type": "R(meas)",
"value": 0.713
},
{
"type": "R(pim)",
"value": 0.282
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
"refln_shells": [
{
"resolution_limits": [2.85,2.72],
"number_observations": 5979,
"number_observations_unique": 928,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.804
},
{
"type": "R(meas)",
"value": 7.431
},
{
"type": "R(pim)",
"value": 2.917
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.450
}
]
}
]
}