Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d6b4d7604b86bb5d4328811dea4f449b",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 66.36,
"b": 89.50,
"c": 100.89,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.820,1.820],
"number_observations": 284013,
"number_observations_unique": 26829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.820],
"number_observations": 7750,
"number_observations_unique": 1805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "R(meas)",
"value": 0.581
},
{
"type": "R(pim)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [34.820,8.140],
"number_observations": 3988,
"number_observations_unique": 352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 57.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}