Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "74e03f5b26c91f9fc66db96bea73c542",
"space_group_name": "P 1",
"unit_cell": {
"a": 81.981,
"b": 82.862,
"c": 90.652,
"alpha": 70.89,
"beta": 84.41,
"gamma": 62.10
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.463,1.898],
"number_observations": 274016,
"number_observations_unique": 150662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [1.905,1.898],
"number_observations": 2672,
"number_observations_unique": 1459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.460
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.824
}
]
},
{
"resolution_limits": [85.463,8.808],
"number_observations": 2818,
"number_observations_unique": 1558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
}
]
}