Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "392279c926dcc43e626fd4c80aa89de8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.215,
"b": 137.117,
"c": 284.074,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.87,2.59],
"number_observations": 512250,
"number_observations_unique": 65796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.660,2.590],
"number_observations": 35564,
"number_observations_unique": 4706,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.314
},
{
"type": "R(meas)",
"value": 1.409
},
{
"type": "R(pim)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 7.6
},
{
"type": "CC(1/2)",
"value": 0.579
}
]
},
{
"resolution_limits": [2.730,2.660],
"number_observations": 36881,
"number_observations_unique": 4632,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.158
},
{
"type": "R(meas)",
"value": 1.238
},
{
"type": "R(pim)",
"value": 0.436
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.0
},
{
"type": "CC(1/2)",
"value": 0.683
}
]
},
{
"resolution_limits": [2.810,2.730],
"number_observations": 36354,
"number_observations_unique": 4578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.947
},
{
"type": "R(meas)",
"value": 1.013
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [2.900,2.810],
"number_observations": 34924,
"number_observations_unique": 4390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.752
},
{
"type": "R(meas)",
"value": 0.804
},
{
"type": "R(pim)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.0
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [2.990,2.900],
"number_observations": 34453,
"number_observations_unique": 4341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.614
},
{
"type": "R(meas)",
"value": 0.656
},
{
"type": "R(pim)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [3.100,2.990],
"number_observations": 32939,
"number_observations_unique": 4145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.531
},
{
"type": "R(pim)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [3.220,3.100],
"number_observations": 31701,
"number_observations_unique": 4001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(meas)",
"value": 0.436
},
{
"type": "R(pim)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [3.350,3.220],
"number_observations": 30903,
"number_observations_unique": 3917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "R(meas)",
"value": 0.325
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [3.500,3.350],
"number_observations": 29181,
"number_observations_unique": 3685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.670,3.500],
"number_observations": 27993,
"number_observations_unique": 3552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.860,3.670],
"number_observations": 26851,
"number_observations_unique": 3429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.100,3.860],
"number_observations": 25329,
"number_observations_unique": 3253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.380,4.100],
"number_observations": 23479,
"number_observations_unique": 3023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.730,4.380],
"number_observations": 21804,
"number_observations_unique": 2834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.180,4.730],
"number_observations": 20227,
"number_observations_unique": 2621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.800,5.180],
"number_observations": 18485,
"number_observations_unique": 2403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 11.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.690,5.800],
"number_observations": 16360,
"number_observations_unique": 2161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.200,6.690],
"number_observations": 13437,
"number_observations_unique": 1807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 17.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [11.590,8.200],
"number_observations": 10329,
"number_observations_unique": 1462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 24.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [48.87,11.590],
"number_observations": 5085,
"number_observations_unique": 856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 21.5
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}