Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8da12d06c5af0510ed8cf3f0f5b7a7b4",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.703,
"b": 88.703,
"c": 39.429,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88555],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.350,1.000],
"number_observations": 1050272,
"number_observations_unique": 164960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,1.000],
"number_observations": 36624,
"number_observations_unique": 7592,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.407
},
{
"type": "R(meas)",
"value": 1.576
},
{
"type": "R(pim)",
"value": 0.693
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.678
}
]
},
{
"resolution_limits": [44.350,5.480],
"number_observations": 7497,
"number_observations_unique": 1093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 50.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}