Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "b9bb1903c819d56b0f8a3f2f50c7daf2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 235.92,
"b": 157.90,
"c": 165.15,
"alpha": 90.00,
"beta": 90.47,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.15],
"number_observations_unique": 326536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 8.41
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.25,2.15],
"number_observations_unique": 41456,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.522
},
{
"type": "R(meas)",
"value": 1.769
},
{
"type": "CC(1/2)",
"value": 0.366
}
]
},
{
"resolution_limits": [2.45,2.25],
"number_observations_unique": 64185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.945
},
{
"type": "R(meas)",
"value": 1.103
},
{
"type": "CC(1/2)",
"value": 0.591
}
]
},
{
"resolution_limits": [2.7,2.45],
"number_observations_unique": 55737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.519
},
{
"type": "R(meas)",
"value": 0.611
},
{
"type": "CC(1/2)",
"value": 0.796
}
]
},
{
"resolution_limits": [3.0,2.70],
"number_observations_unique": 44687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [3.6,3.00],
"number_observations_unique": 50656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [4.4,3.60],
"number_observations_unique": 31472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.9,4.40],
"number_observations_unique": 22378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [8.0,5.90],
"number_observations_unique": 9517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [12.0,8.00],
"number_observations_unique": 4549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.0,12.00],
"number_observations_unique": 1899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}