Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c613bc84b766dec6a00d03d0d7c11748",
"space_group_name": "P 1",
"unit_cell": {
"a": 53.258,
"b": 57.105,
"c": 61.646,
"alpha": 85.77,
"beta": 85.38,
"gamma": 67.65
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.530,2.270],
"number_observations": 106277,
"number_observations_unique": 27431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.270],
"number_observations": 15298,
"number_observations_unique": 3943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "R(meas)",
"value": 0.588
},
{
"type": "R(pim)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [45.530,7.180],
"number_observations": 3301,
"number_observations_unique": 868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.300
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}