Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "678082013bb35eb846c1f638e201f7b1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.109,
"b": 52.815,
"c": 44.469,
"alpha": 90.00,
"beta": 102.97,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.150,1.540],
"number_observations": 123336,
"number_observations_unique": 37659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.540],
"number_observations": 4038,
"number_observations_unique": 1768,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.083
},
{
"type": "R(meas)",
"value": 1.376
},
{
"type": "R(pim)",
"value": 0.834
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.344
}
]
},
{
"resolution_limits": [55.150,8.440],
"number_observations": 938,
"number_observations_unique": 254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 22.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}