Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c0c68780b6778c8b1a63e1da722cf40",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 57.878,
"b": 57.878,
"c": 395.526,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [197.790,1.460],
"number_observations": 1148646,
"number_observations_unique": 70386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.460],
"number_observations": 56533,
"number_observations_unique": 5073,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.860
},
{
"type": "R(meas)",
"value": 1.950
},
{
"type": "R(pim)",
"value": 0.578
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.558
}
]
},
{
"resolution_limits": [197.790,6.530],
"number_observations": 14888,
"number_observations_unique": 1039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 46.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}