Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54e940fcaaa0bbafc52abd9f16f9950b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 40.291,
"b": 106.741,
"c": 175.210,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.626,1.63],
"number_observations_unique": 35208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0997
},
{
"type": "R(meas)",
"value": 0.1038
},
{
"type": "R(pim)",
"value": 0.0286
},
{
"type": "I/SigI",
"value": 13.48
},
{
"type": "Completeness",
"value": 92.6
},
{
"type": "Redundancy",
"value": 13.09
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [34.626,3.968],
"number_observations_unique": 3521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0594
},
{
"type": "R(meas)",
"value": 0.0621
},
{
"type": "R(pim)",
"value": 0.0176
},
{
"type": "I/SigI",
"value": 35.12
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.47
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.968,3.126],
"number_observations_unique": 3521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0649
},
{
"type": "R(meas)",
"value": 0.0675
},
{
"type": "R(pim)",
"value": 0.0184
},
{
"type": "I/SigI",
"value": 30.64
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.26
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.126,2.721],
"number_observations_unique": 3520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0966
},
{
"type": "R(meas)",
"value": 0.1004
},
{
"type": "R(pim)",
"value": 0.0274
},
{
"type": "I/SigI",
"value": 21.63
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.23
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.721,2.468],
"number_observations_unique": 3521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1462
},
{
"type": "R(meas)",
"value": 0.1520
},
{
"type": "R(pim)",
"value": 0.0412
},
{
"type": "I/SigI",
"value": 14.92
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.29
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.468,2.287],
"number_observations_unique": 3521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2057
},
{
"type": "R(meas)",
"value": 0.2139
},
{
"type": "R(pim)",
"value": 0.0583
},
{
"type": "I/SigI",
"value": 10.92
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.20
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.287,2.150],
"number_observations_unique": 3521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2942
},
{
"type": "R(meas)",
"value": 0.3056
},
{
"type": "R(pim)",
"value": 0.0821
},
{
"type": "I/SigI",
"value": 8.17
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.48
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.150,2.039],
"number_observations_unique": 3521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4612
},
{
"type": "R(meas)",
"value": 0.4794
},
{
"type": "R(pim)",
"value": 0.1299
},
{
"type": "I/SigI",
"value": 5.30
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.29
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.039,1.948],
"number_observations_unique": 3520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.7257
},
{
"type": "R(meas)",
"value": 0.7541
},
{
"type": "R(pim)",
"value": 0.2038
},
{
"type": "I/SigI",
"value": 3.55
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 13.36
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [1.948,1.852],
"number_observations_unique": 3521,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.0472
},
{
"type": "R(meas)",
"value": 1.0877
},
{
"type": "R(pim)",
"value": 0.2927
},
{
"type": "I/SigI",
"value": 2.60
},
{
"type": "Completeness",
"value": 81.7
},
{
"type": "Redundancy",
"value": 13.65
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [1.852,1.632],
"number_observations_unique": 3521,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.1833
},
{
"type": "R(meas)",
"value": 1.2378
},
{
"type": "R(pim)",
"value": 0.3564
},
{
"type": "I/SigI",
"value": 1.98
},
{
"type": "Completeness",
"value": 63.5
},
{
"type": "Redundancy",
"value": 11.68
},
{
"type": "CC(1/2)",
"value": 0.815
}
]
}
]
}