Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "644f7e07fa7ee58abd17848b65a4c5c1",
"space_group_name": "P 62",
"unit_cell": {
"a": 121.002,
"b": 121.002,
"c": 35.367,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.80],
"number_observations": 418261,
"number_observations_unique": 27989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 14.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.83,1.80],
"number_observations_unique": 1361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.834
},
{
"type": "R(meas)",
"value": 0.929
},
{
"type": "R(pim)",
"value": 0.388
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.697
}
]
},
{
"resolution_limits": [1.86,1.83],
"number_observations_unique": 1408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.691
},
{
"type": "R(meas)",
"value": 0.756
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [1.90,1.86],
"number_observations_unique": 1359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.800
},
{
"type": "R(meas)",
"value": 0.863
},
{
"type": "R(pim)",
"value": 0.314
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.878
}
]
},
{
"resolution_limits": [1.94,1.90],
"number_observations_unique": 1383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.820
},
{
"type": "R(meas)",
"value": 0.870
},
{
"type": "R(pim)",
"value": 0.288
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.4
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.98,1.94],
"number_observations_unique": 1401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.831
},
{
"type": "R(meas)",
"value": 0.873
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.03,1.98],
"number_observations_unique": 1380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.732
},
{
"type": "R(meas)",
"value": 0.760
},
{
"type": "R(pim)",
"value": 0.204
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.7
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.08,2.03],
"number_observations_unique": 1389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.615
},
{
"type": "R(meas)",
"value": 0.638
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.5
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.13,2.08],
"number_observations_unique": 1374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.523
},
{
"type": "R(meas)",
"value": 0.542
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.5
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.20,2.13],
"number_observations_unique": 1404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.409
},
{
"type": "R(meas)",
"value": 0.423
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.9
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.27,2.20],
"number_observations_unique": 1383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(meas)",
"value": 0.421
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15.1
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.35,2.27],
"number_observations_unique": 1392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "R(meas)",
"value": 0.408
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.44,2.35],
"number_observations_unique": 1400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "R(meas)",
"value": 0.433
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 17.7
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.55,2.44],
"number_observations_unique": 1402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "R(meas)",
"value": 0.428
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.69,2.55],
"number_observations_unique": 1402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "R(meas)",
"value": 0.410
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.6
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.86,2.69],
"number_observations_unique": 1380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.08,2.86],
"number_observations_unique": 1416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.39,3.08],
"number_observations_unique": 1407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.88,3.39],
"number_observations_unique": 1419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.88,3.88],
"number_observations_unique": 1445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,4.88],
"number_observations_unique": 1484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 18.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}