Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f1f3f19c9f5bc21f67dd3a819328fb0a",
"space_group_name": "P 1",
"unit_cell": {
"a": 46.507,
"b": 69.069,
"c": 90.993,
"alpha": 108.208,
"beta": 92.088,
"gamma": 106.747
},
"wavelengths": [0.72738],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.10,1.97],
"number_observations_unique": 68392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 94.4
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [44.10,9.23],
"number_observations_unique": 690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.01,1.97],
"number_observations_unique": 4432,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.557
},
{
"type": "R(meas)",
"value": 2.200
},
{
"type": "R(pim)",
"value": 1.554
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.270
}
]
}
]
}