Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a6c013e44c92773d9bb4d7a47d907eb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.52,
"b": 78.85,
"c": 89.38,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.990,1.740],
"number_observations": 290362,
"number_observations_unique": 46016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.740],
"number_observations": 19884,
"number_observations_unique": 3375,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.815
},
{
"type": "R(meas)",
"value": 1.993
},
{
"type": "R(pim)",
"value": 0.810
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.388
}
]
},
{
"resolution_limits": [48.990,7.780],
"number_observations": 3404,
"number_observations_unique": 601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}