Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "245e251593df83ec0c08df1c5cb307e6",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 106.050,
"b": 56.690,
"c": 182.296,
"alpha": 90.00,
"beta": 92.87,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [93.61,3.50],
"number_observations": 93984,
"number_observations_unique": 13988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "R(meas)",
"value": 0.490
},
{
"type": "R(pim)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [3.83,3.50],
"number_observations": 22297,
"number_observations_unique": 3318,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.230
},
{
"type": "R(meas)",
"value": 1.333
},
{
"type": "R(pim)",
"value": 0.510
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.717
}
]
}
]
}