Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "63ae12bca0d00efa296c968eb66f8fdc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.33,
"b": 72.76,
"c": 52.61,
"alpha": 90.00,
"beta": 109.33,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.65,1.07],
"number_observations_unique": 132704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 7.85
},
{
"type": "Completeness",
"value": 92.4
},
{
"type": "Redundancy",
"value": 4.32
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.13,1.07],
"number_observations_unique": 19350,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.296
},
{
"type": "R(meas)",
"value": 1.503
},
{
"type": "I/SigI",
"value": 0.94
},
{
"type": "CC(1/2)",
"value": 0.464
}
]
},
{
"resolution_limits": [1.21,1.13],
"number_observations_unique": 19600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.805
},
{
"type": "R(meas)",
"value": 0.918
},
{
"type": "CC(1/2)",
"value": 0.686
}
]
},
{
"resolution_limits": [1.3,1.21],
"number_observations_unique": 18764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.583
},
{
"type": "R(meas)",
"value": 0.66
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [1.43,1.30],
"number_observations_unique": 17639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "R(meas)",
"value": 0.406
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [1.6,1.43],
"number_observations_unique": 16071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [1.84,1.60],
"number_observations_unique": 14333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [2.26,1.84],
"number_observations_unique": 12164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.19,2.26],
"number_observations_unique": 9415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [49.65,3.19],
"number_observations_unique": 5368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}