Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f375f0c221a69c5b1deda407785826b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 72.318,
"b": 94.990,
"c": 179.759,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.86,1.87],
"number_observations_unique": 92829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 90.15
},
{
"type": "Redundancy",
"value": 10.3
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.90,1.87],
"number_observations_unique": 3223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.859
},
{
"type": "R(meas)",
"value": 0.945
},
{
"type": "R(pim)",
"value": 0.380
},
{
"type": "Completeness",
"value": 63.3
},
{
"type": "Redundancy",
"value": 4.5
},
{
"type": "CC(1/2)",
"value": 0.694
}
]
},
{
"resolution_limits": [1.94,1.90],
"number_observations_unique": 3495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.798
},
{
"type": "R(meas)",
"value": 0.875
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "Completeness",
"value": 69.1
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.760
}
]
},
{
"resolution_limits": [1.97,1.94],
"number_observations_unique": 3768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.788
},
{
"type": "R(meas)",
"value": 0.854
},
{
"type": "R(pim)",
"value": 0.318
},
{
"type": "Completeness",
"value": 74.5
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [2.01,1.97],
"number_observations_unique": 3879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.753
},
{
"type": "R(meas)",
"value": 0.807
},
{
"type": "R(pim)",
"value": 0.282
},
{
"type": "Completeness",
"value": 76.2
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [2.06,2.01],
"number_observations_unique": 4064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.704
},
{
"type": "R(meas)",
"value": 0.750
},
{
"type": "R(pim)",
"value": 0.251
},
{
"type": "Completeness",
"value": 79.8
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [2.11,2.06],
"number_observations_unique": 4150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.687
},
{
"type": "R(pim)",
"value": 0.225
},
{
"type": "Completeness",
"value": 82.3
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [2.16,2.11],
"number_observations_unique": 4321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.607
},
{
"type": "R(meas)",
"value": 0.644
},
{
"type": "R(pim)",
"value": 0.207
},
{
"type": "Completeness",
"value": 85.0
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [2.22,2.16],
"number_observations_unique": 4470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.557
},
{
"type": "R(meas)",
"value": 0.590
},
{
"type": "R(pim)",
"value": 0.188
},
{
"type": "Completeness",
"value": 87.8
},
{
"type": "Redundancy",
"value": 8.6
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [2.28,2.22],
"number_observations_unique": 4765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.541
},
{
"type": "R(meas)",
"value": 0.571
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "Completeness",
"value": 94.1
},
{
"type": "Redundancy",
"value": 9.4
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [2.36,2.28],
"number_observations_unique": 4956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "R(meas)",
"value": 0.524
},
{
"type": "R(pim)",
"value": 0.158
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 10.1
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.44,2.36],
"number_observations_unique": 5098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "R(meas)",
"value": 0.484
},
{
"type": "R(pim)",
"value": 0.142
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 11.2
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.54,2.44],
"number_observations_unique": 5102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.420
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.7
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.65,2.54],
"number_observations_unique": 5116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "R(meas)",
"value": 0.352
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.5
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.79,2.65],
"number_observations_unique": 5118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.97,2.79],
"number_observations_unique": 5129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.20,2.97],
"number_observations_unique": 5151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.52,3.20],
"number_observations_unique": 5179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.03,3.52],
"number_observations_unique": 5198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.07,4.03],
"number_observations_unique": 5247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.00,5.07],
"number_observations_unique": 5489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}