Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d683a011233d060da07cc6f36b21739a",
"space_group_name": "P 63",
"unit_cell": {
"a": 109.882,
"b": 109.882,
"c": 79.087,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.750],
"number_observations": 249034,
"number_observations_unique": 14273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.750],
"number_observations_unique": 692,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.603
},
{
"type": "R(meas)",
"value": 1.649
},
{
"type": "R(pim)",
"value": 0.383
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 721,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.130
},
{
"type": "R(meas)",
"value": 1.162
},
{
"type": "R(pim)",
"value": 0.271
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.300
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [2.900,2.850],
"number_observations_unique": 706,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.058
},
{
"type": "R(meas)",
"value": 1.088
},
{
"type": "R(pim)",
"value": 0.255
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.300
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [2.960,2.900],
"number_observations_unique": 711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.866
},
{
"type": "R(meas)",
"value": 0.891
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.000
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [3.030,2.960],
"number_observations_unique": 700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.726
},
{
"type": "R(meas)",
"value": 0.748
},
{
"type": "R(pim)",
"value": 0.177
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.900
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [3.100,3.030],
"number_observations_unique": 696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.643
},
{
"type": "R(meas)",
"value": 0.663
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 16.800
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [3.170,3.100],
"number_observations_unique": 723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "R(meas)",
"value": 0.585
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.700
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [3.260,3.170],
"number_observations_unique": 712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.515
},
{
"type": "R(meas)",
"value": 0.529
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.400
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [3.360,3.260],
"number_observations_unique": 707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(meas)",
"value": 0.495
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.300
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.460,3.360],
"number_observations_unique": 714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(meas)",
"value": 0.479
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.800
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [3.590,3.460],
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(meas)",
"value": 0.419
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.900
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.730,3.590],
"number_observations_unique": 698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(meas)",
"value": 0.285
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.000
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.900,3.730],
"number_observations_unique": 713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.000
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.110,3.900],
"number_observations_unique": 724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.360,4.110],
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.700,4.360],
"number_observations_unique": 710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [5.170,4.700],
"number_observations_unique": 717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.920,5.170],
"number_observations_unique": 724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [7.460,5.920],
"number_observations_unique": 727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,7.460],
"number_observations_unique": 742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 15.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}