Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "df07f50228cdc6326bab3c8abfb52eff",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.572,
"b": 82.572,
"c": 86.847,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.29,2.4],
"number_observations_unique": 25631,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 16.34
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.78
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.55,2.41],
"number_observations_unique": 4108,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.888
},
{
"type": "I/SigI",
"value": 2.09
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [2.73,2.55],
"number_observations_unique": 3893,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.6
},
{
"type": "Completeness",
"value": 100
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.94,2.73],
"number_observations_unique": 3643,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.383
},
{
"type": "Completeness",
"value": 100
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [3.22,2.94],
"number_observations_unique": 3340,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "Completeness",
"value": 100
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [3.60,3.22],
"number_observations_unique": 3030,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.15,3.6],
"number_observations_unique": 2672,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.07,4.15],
"number_observations_unique": 2213,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.12,5.07],
"number_observations_unique": 1739,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [41.29,7.12],
"number_observations_unique": 993,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}