Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "596a0f53cf53889e1416519ba46ed14b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 64.619,
"b": 100.610,
"c": 105.022,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.50],
"number_observations": 96592,
"number_observations_unique": 12033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 8.0
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
"refln_shells": [
{
"resolution_limits": [2.54,2.50],
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.838
},
{
"type": "R(meas)",
"value": 0.894
},
{
"type": "R(pim)",
"value": 0.308
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [2.59,2.54],
"number_observations_unique": 611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "R(meas)",
"value": 0.736
},
{
"type": "R(pim)",
"value": 0.250
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 8.6
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [2.64,2.59],
"number_observations_unique": 577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.636
},
{
"type": "R(meas)",
"value": 0.676
},
{
"type": "R(pim)",
"value": 0.224
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.9
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [2.69,2.64],
"number_observations_unique": 612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.593
},
{
"type": "R(meas)",
"value": 0.630
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 8.9
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [2.75,2.69],
"number_observations_unique": 579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.518
},
{
"type": "R(meas)",
"value": 0.551
},
{
"type": "R(pim)",
"value": 0.184
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.9
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.82,2.75],
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "R(meas)",
"value": 0.480
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.8
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [2.89,2.82],
"number_observations_unique": 583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "R(meas)",
"value": 0.413
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.8
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.96,2.89],
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "R(meas)",
"value": 0.390
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.5
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [3.05,2.96],
"number_observations_unique": 578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "R(meas)",
"value": 0.324
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.6
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [3.15,3.05],
"number_observations_unique": 624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.26,3.15],
"number_observations_unique": 587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [3.39,3.26],
"number_observations_unique": 608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 7.6
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.55,3.39],
"number_observations_unique": 597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.73,3.55],
"number_observations_unique": 598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.97,3.73],
"number_observations_unique": 597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.27,3.97],
"number_observations_unique": 594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.70,4.27],
"number_observations_unique": 576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.38,4.70],
"number_observations_unique": 609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.78,5.38],
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [50.00,6.78],
"number_observations_unique": 671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}