Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd9da913d67c44777fdadc341e80a70e",
"space_group_name": "P 1",
"unit_cell": {
"a": 51.96,
"b": 59.42,
"c": 125.99,
"alpha": 90.61,
"beta": 95.74,
"gamma": 90.08
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.8,2.05],
"number_observations_unique": 88266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09699999999999999
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 7.33
},
{
"type": "Completeness",
"value": 93.9
},
{
"type": "Redundancy",
"value": 2.2
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.1,2.05],
"number_observations_unique": 6191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.49700000000000005
},
{
"type": "R(meas)",
"value": 0.662
},
{
"type": "CC(1/2)",
"value": 0.623
}
]
},
{
"resolution_limits": [2.16,2.10],
"number_observations_unique": 6465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "R(meas)",
"value": 0.528
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [2.22,2.16],
"number_observations_unique": 6147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.33899999999999997
},
{
"type": "R(meas)",
"value": 0.449
},
{
"type": "CC(1/2)",
"value": 0.7659999999999999
}
]
},
{
"resolution_limits": [2.29,2.22],
"number_observations_unique": 6094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.401
},
{
"type": "CC(1/2)",
"value": 0.8240000000000001
}
]
},
{
"resolution_limits": [2.37,2.29],
"number_observations_unique": 5871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [2.45,2.37],
"number_observations_unique": 5702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.308
},
{
"type": "CC(1/2)",
"value": 0.9
}
]
},
{
"resolution_limits": [2.54,2.45],
"number_observations_unique": 5527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.276
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [2.65,2.54],
"number_observations_unique": 5287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.21899999999999997
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [2.76,2.65],
"number_observations_unique": 5054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.9,2.76],
"number_observations_unique": 4874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [3.06,2.90],
"number_observations_unique": 4606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "CC(1/2)",
"value": 0.9790000000000001
}
]
},
{
"resolution_limits": [3.24,3.06],
"number_observations_unique": 4332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.47,3.24],
"number_observations_unique": 4031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07200000000000001
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.74,3.47],
"number_observations_unique": 3729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059000000000000004
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.1,3.74],
"number_observations_unique": 3423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054000000000000006
},
{
"type": "R(meas)",
"value": 0.07200000000000001
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.58,4.10],
"number_observations_unique": 3132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052000000000000005
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [5.29,4.58],
"number_observations_unique": 2757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [6.48,5.29],
"number_observations_unique": 2351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [9.17,6.48],
"number_observations_unique": 1798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044000000000000004
},
{
"type": "R(meas)",
"value": 0.057999999999999996
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [19.8,9.17],
"number_observations_unique": 895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040999999999999995
},
{
"type": "R(meas)",
"value": 0.054000000000000006
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}