Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5d3e1e9b33c2cba616bde7ab01aba40d",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 139.548,
"b": 139.548,
"c": 72.864,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.510,1.550],
"number_observations": 384350,
"number_observations_unique": 38704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 22.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 17407,
"number_observations_unique": 1885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.682
},
{
"type": "R(meas)",
"value": 0.721
},
{
"type": "R(pim)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [46.510,8.490],
"number_observations": 2385,
"number_observations_unique": 268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 54.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}