Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e79293df3e6c83efd2908a0a8d8f9ce7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.789,
"b": 41.598,
"c": 73.195,
"alpha": 90.00,
"beta": 104.83,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,1.500],
"number_observations_unique": 36906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.500],
"number_observations_unique": 3606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [1.620,1.550],
"number_observations_unique": 3682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [1.690,1.620],
"number_observations_unique": 3757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [1.780,1.690],
"number_observations_unique": 3849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [1.890,1.780],
"number_observations_unique": 3893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.040,1.890],
"number_observations_unique": 3974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.240,2.040],
"number_observations_unique": 3957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.560,2.240],
"number_observations_unique": 4006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.230,2.560],
"number_observations_unique": 4038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [20.000,3.230],
"number_observations_unique": 4097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
}
]
}