Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78c30e8a980335d94007d92583ca26cf",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.268,
"b": 71.268,
"c": 150.320,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.340,1.550],
"number_observations": 737068,
"number_observations_unique": 57138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 32510,
"number_observations_unique": 2712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.917
},
{
"type": "R(meas)",
"value": 0.957
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [29.340,8.480],
"number_observations": 4910,
"number_observations_unique": 431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 51.700
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}