Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bbad080c9531c0458d2c806c65b51444",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.58,
"b": 77.15,
"c": 123.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.25,1.8],
"number_observations_unique": 37729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 13.44
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.7
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [1.85,1.80],
"number_observations_unique": 2713,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.261
},
{
"type": "R(meas)",
"value": 1.3159999999999998
},
{
"type": "CC(1/2)",
"value": 0.78
}
]
},
{
"resolution_limits": [1.9,1.85],
"number_observations_unique": 2698,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.088
},
{
"type": "R(meas)",
"value": 1.1340000000000001
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
},
{
"resolution_limits": [1.95,1.90],
"number_observations_unique": 2602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.856
},
{
"type": "R(meas)",
"value": 0.893
},
{
"type": "CC(1/2)",
"value": 0.8859999999999999
}
]
},
{
"resolution_limits": [2.01,1.95],
"number_observations_unique": 2499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6779999999999999
},
{
"type": "R(meas)",
"value": 0.7070000000000001
},
{
"type": "CC(1/2)",
"value": 0.9390000000000001
}
]
},
{
"resolution_limits": [2.08,2.01],
"number_observations_unique": 2505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.514
},
{
"type": "R(meas)",
"value": 0.536
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [2.15,2.08],
"number_observations_unique": 2356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "R(meas)",
"value": 0.43700000000000006
},
{
"type": "CC(1/2)",
"value": 0.9740000000000001
}
]
},
{
"resolution_limits": [2.23,2.15],
"number_observations_unique": 2309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "R(meas)",
"value": 0.358
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
{
"resolution_limits": [2.32,2.23],
"number_observations_unique": 2231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "CC(1/2)",
"value": 0.9840000000000001
}
]
},
{
"resolution_limits": [2.43,2.32],
"number_observations_unique": 2127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.55,2.43],
"number_observations_unique": 2031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.21
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.68,2.55],
"number_observations_unique": 1941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [2.85,2.68],
"number_observations_unique": 1863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.14800000000000002
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.04,2.85],
"number_observations_unique": 1745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.12
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.29,3.04],
"number_observations_unique": 1623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.6,3.29],
"number_observations_unique": 1505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.07200000000000001
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [4.02,3.60],
"number_observations_unique": 1377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.059000000000000004
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.65,4.02],
"number_observations_unique": 1226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [5.69,4.65],
"number_observations_unique": 1045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052000000000000005
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.05,5.69],
"number_observations_unique": 838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052000000000000005
},
{
"type": "R(meas)",
"value": 0.054000000000000006
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}