Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6dd7ff0af5c5dbf85020fc3c6a04d88d",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.096,
"b": 71.096,
"c": 150.171,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.280,1.380],
"number_observations": 979359,
"number_observations_unique": 79871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.380],
"number_observations": 25892,
"number_observations_unique": 3828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.743
},
{
"type": "R(meas)",
"value": 0.805
},
{
"type": "R(pim)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
},
{
"resolution_limits": [29.280,7.560],
"number_observations": 6429,
"number_observations_unique": 592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 60.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}