Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7c18a96f1ac717357b877319aac6b6e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.335,
"b": 72.989,
"c": 52.762,
"alpha": 90.00,
"beta": 109.23,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.805,1.10],
"number_observations": 895581,
"number_observations_unique": 131339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 9.020
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.793
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.16,1.10],
"number_observations": 134950,
"number_observations_unique": 21452,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.357
},
{
"type": "R(meas)",
"value": 2.555
},
{
"type": "I/SigI",
"value": 0.58
},
{
"type": "Completeness",
"value": 0.952
},
{
"type": "Redundancy",
"value": 6.29
},
{
"type": "CC(1/2)",
"value": 0.397
}
]
},
{
"resolution_limits": [1.24,1.16],
"number_observations": 136409,
"number_observations_unique": 20148,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.372
},
{
"type": "R(meas)",
"value": 1.486
},
{
"type": "I/SigI",
"value": 1.13
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.77
},
{
"type": "CC(1/2)",
"value": 0.644
}
]
},
{
"resolution_limits": [1.34,1.24],
"number_observations": 127810,
"number_observations_unique": 18817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.783
},
{
"type": "R(meas)",
"value": 0.848
},
{
"type": "I/SigI",
"value": 2.12
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.79
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
},
{
"resolution_limits": [1.47,1.34],
"number_observations": 115236,
"number_observations_unique": 17285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(meas)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 4.44
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.67
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [1.64,1.47],
"number_observations": 103995,
"number_observations_unique": 15658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "I/SigI",
"value": 8.48
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.64
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [1.90,1.64],
"number_observations": 95035,
"number_observations_unique": 13817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 14.85
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.32,1.90],
"number_observations": 82770,
"number_observations_unique": 11696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 23.56
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 7.08
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.28,2.32],
"number_observations": 63889,
"number_observations_unique": 9098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 28.51
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 7.02
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.00,3.28],
"number_observations": 35487,
"number_observations_unique": 5068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 33.11
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 7.00
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}