Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "77a9bd2fdffbd632f8292c870b70a8c4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.72,
"b": 77.63,
"c": 99.56,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.900,1.770],
"number_observations": 192902,
"number_observations_unique": 30093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.770],
"number_observations": 13138,
"number_observations_unique": 2159,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.783
},
{
"type": "R(meas)",
"value": 1.951
},
{
"type": "R(pim)",
"value": 0.782
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.360
}
]
},
{
"resolution_limits": [41.900,7.920],
"number_observations": 2301,
"number_observations_unique": 406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 42.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}