Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6472e6e42fa57fc9eed50031e1cfec14",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 57.815,
"b": 57.815,
"c": 396.377,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [198.220,1.670],
"number_observations": 855328,
"number_observations_unique": 47494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.670],
"number_observations": 52997,
"number_observations_unique": 3392,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.504
},
{
"type": "R(meas)",
"value": 2.590
},
{
"type": "R(pim)",
"value": 0.651
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 15.600
},
{
"type": "CC(1/2)",
"value": 0.567
}
]
},
{
"resolution_limits": [198.220,7.470],
"number_observations": 10508,
"number_observations_unique": 727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 33.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}