Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "61293ec83116d3caab99eeb844fe43a6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 59.267,
"b": 108.860,
"c": 188.851,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,3.50],
"number_observations": 105190,
"number_observations_unique": 14235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 90.5
},
{
"type": "Redundancy",
"value": 7.4
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [3.56,3.50],
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.719
},
{
"type": "R(meas)",
"value": 0.785
},
{
"type": "R(pim)",
"value": 0.300
},
{
"type": "Completeness",
"value": 85.2
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.704
}
]
},
{
"resolution_limits": [3.63,3.56],
"number_observations_unique": 664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.588
},
{
"type": "R(meas)",
"value": 0.640
},
{
"type": "R(pim)",
"value": 0.240
},
{
"type": "Completeness",
"value": 86.1
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [3.69,3.63],
"number_observations_unique": 665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.595
},
{
"type": "R(meas)",
"value": 0.650
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "Completeness",
"value": 84.4
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [3.77,3.69],
"number_observations_unique": 660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.605
},
{
"type": "R(meas)",
"value": 0.667
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "Completeness",
"value": 88.1
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [3.85,3.77],
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "R(meas)",
"value": 0.605
},
{
"type": "R(pim)",
"value": 0.228
},
{
"type": "Completeness",
"value": 84.4
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [3.94,3.85],
"number_observations_unique": 680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "R(meas)",
"value": 0.541
},
{
"type": "R(pim)",
"value": 0.192
},
{
"type": "Completeness",
"value": 86.0
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.838
}
]
},
{
"resolution_limits": [4.04,3.94],
"number_observations_unique": 640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "R(meas)",
"value": 0.473
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "Completeness",
"value": 86.6
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [4.15,4.04],
"number_observations_unique": 660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.409
},
{
"type": "R(meas)",
"value": 0.441
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 85.2
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [4.27,4.15],
"number_observations_unique": 672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "R(meas)",
"value": 0.372
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "Completeness",
"value": 85.7
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [4.41,4.27],
"number_observations_unique": 665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "R(meas)",
"value": 0.336
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 84.7
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [4.57,4.41],
"number_observations_unique": 634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.302
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 81.4
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [4.75,4.57],
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.310
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "Completeness",
"value": 84.2
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [4.97,4.75],
"number_observations_unique": 719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "Completeness",
"value": 90.3
},
{
"type": "Redundancy",
"value": 7.4
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [5.23,4.97],
"number_observations_unique": 737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.386
},
{
"type": "R(pim)",
"value": 0.144
},
{
"type": "Completeness",
"value": 95.3
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [5.55,5.23],
"number_observations_unique": 784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.522
},
{
"type": "R(meas)",
"value": 0.570
},
{
"type": "R(pim)",
"value": 0.219
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 7.6
},
{
"type": "CC(1/2)",
"value": 0.784
}
]
},
{
"resolution_limits": [5.98,5.55],
"number_observations_unique": 802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.663
},
{
"type": "R(meas)",
"value": 0.717
},
{
"type": "R(pim)",
"value": 0.266
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.4
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [6.58,5.98],
"number_observations_unique": 802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.610
},
{
"type": "R(meas)",
"value": 0.658
},
{
"type": "R(pim)",
"value": 0.242
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.4
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
},
{
"resolution_limits": [7.53,6.58],
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.476
},
{
"type": "R(pim)",
"value": 0.174
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.6
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [9.48,7.53],
"number_observations_unique": 823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.8
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [50.00,9.48],
"number_observations_unique": 886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}