Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2405a6e8e83c7e1043ba43cd9207bf48",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 179.646,
"b": 179.646,
"c": 179.646,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.55000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.50],
"number_observations_unique": 16236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 69.1
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.54,2.50],
"number_observations_unique": 444,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.670
},
{
"type": "R(meas)",
"value": 1.688
},
{
"type": "R(pim)",
"value": 0.241
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 48.2
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
},
{
"resolution_limits": [2.59,2.54],
"number_observations_unique": 437,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.545
},
{
"type": "R(meas)",
"value": 1.560
},
{
"type": "R(pim)",
"value": 0.209
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 54.9
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [2.64,2.59],
"number_observations_unique": 426,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.447
},
{
"type": "R(meas)",
"value": 1.459
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 64.8
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [2.69,2.64],
"number_observations_unique": 437,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.413
},
{
"type": "R(meas)",
"value": 1.423
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 72.0
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [2.75,2.69],
"number_observations_unique": 449,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.230
},
{
"type": "R(meas)",
"value": 1.239
},
{
"type": "R(pim)",
"value": 0.144
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 73.5
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [2.82,2.75],
"number_observations_unique": 440,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.114
},
{
"type": "R(meas)",
"value": 1.122
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 73.8
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.89,2.82],
"number_observations_unique": 439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.915
},
{
"type": "R(meas)",
"value": 0.921
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 73.5
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.96,2.89],
"number_observations_unique": 443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.821
},
{
"type": "R(meas)",
"value": 0.827
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 71.3
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.05,2.96],
"number_observations_unique": 444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.699
},
{
"type": "R(meas)",
"value": 0.704
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 70.0
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [3.15,3.05],
"number_observations_unique": 450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.574
},
{
"type": "R(meas)",
"value": 0.578
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 74.7
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.26,3.15],
"number_observations_unique": 455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "R(meas)",
"value": 0.506
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 72.6
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.39,3.26],
"number_observations_unique": 439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "R(meas)",
"value": 0.418
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 72.3
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.55,3.39],
"number_observations_unique": 459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.349
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 76.1
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.73,3.55],
"number_observations_unique": 452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 75.5
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.97,3.73],
"number_observations_unique": 462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 72.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.27,3.97],
"number_observations_unique": 450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 68.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.70,4.27],
"number_observations_unique": 466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 72.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.38,4.70],
"number_observations_unique": 471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 70.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.78,5.38],
"number_observations_unique": 485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 69.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,6.78],
"number_observations_unique": 547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 57.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}