Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "636dbc3b74bd0df6c3b69b472c403b96",
"space_group_name": "P 1",
"unit_cell": {
"a": 46.500,
"b": 76.935,
"c": 87.022,
"alpha": 103.83,
"beta": 105.48,
"gamma": 89.64
},
"wavelengths": [0.97933],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.800],
"number_observations_unique": 26864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.608
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [2.900,2.850],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
},
{
"resolution_limits": [2.960,2.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [3.020,2.960],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [3.080,3.020],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [3.150,3.080],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [3.230,3.150],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [3.320,3.230],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [3.420,3.320],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [3.530,3.420],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.650,3.530],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.800,3.650],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [3.970,3.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [4.180,3.970],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [4.440,4.180],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.790,4.440],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [5.270,4.790],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [6.030,5.270],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [7.590,6.030],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [50.000,7.590],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}