Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6198f5f52293aa2adf6da13d9b9d9c2b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.618,
"b": 61.052,
"c": 116.148,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99190],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.800,1.500],
"number_observations": 320193,
"number_observations_unique": 48186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 24017,
"number_observations_unique": 3557,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.545
},
{
"type": "R(meas)",
"value": 1.676
},
{
"type": "R(pim)",
"value": 0.641
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.578
}
]
},
{
"resolution_limits": [33.800,6.710],
"number_observations": 3880,
"number_observations_unique": 635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 26.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}