Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc8a2fbe75d6640032ee7a798db91e47",
"space_group_name": "P 43",
"unit_cell": {
"a": 54.73,
"b": 54.73,
"c": 75.25,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96871],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.730,1.410],
"number_observations": 279852,
"number_observations_unique": 42703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.410],
"number_observations": 19382,
"number_observations_unique": 3133,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.554
},
{
"type": "R(meas)",
"value": 1.697
},
{
"type": "R(pim)",
"value": 0.676
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.462
}
]
},
{
"resolution_limits": [54.730,6.310],
"number_observations": 3211,
"number_observations_unique": 509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 40.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}