Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ded30f8ea391e2194f59e679063dee42",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.828,
"b": 53.056,
"c": 44.493,
"alpha": 90.00,
"beta": 103.19,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.980,1.430],
"number_observations": 140845,
"number_observations_unique": 46415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.430],
"number_observations": 4318,
"number_observations_unique": 2147,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.221
},
{
"type": "R(meas)",
"value": 1.559
},
{
"type": "R(pim)",
"value": 0.956
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.346
}
]
},
{
"resolution_limits": [54.980,7.830],
"number_observations": 1129,
"number_observations_unique": 315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 39.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}