Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "778ab640aa682afaaf3ecf4e1e0ce85f",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 32.030,
"b": 52.808,
"c": 72.159,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99987],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.08,1.240],
"number_observations": 215347,
"number_observations_unique": 34508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 13.460
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.130
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.240],
"number_observations": 9664,
"number_observations_unique": 2011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.847
},
{
"type": "R(meas)",
"value": 0.943
},
{
"type": "I/SigI",
"value": 1.790
},
{
"type": "Completeness",
"value": 78.500
},
{
"type": "Redundancy",
"value": 4.806
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [1.310,1.270],
"number_observations": 15526,
"number_observations_unique": 2407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.720
},
{
"type": "R(meas)",
"value": 0.782
},
{
"type": "I/SigI",
"value": 2.650
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 6.450
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [1.340,1.310],
"number_observations": 15271,
"number_observations_unique": 2392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.591
},
{
"type": "R(meas)",
"value": 0.643
},
{
"type": "I/SigI",
"value": 3.260
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.384
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [1.390,1.340],
"number_observations": 13945,
"number_observations_unique": 2321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.513
},
{
"type": "R(meas)",
"value": 0.561
},
{
"type": "I/SigI",
"value": 3.670
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.008
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [1.430,1.390],
"number_observations": 14781,
"number_observations_unique": 2261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "R(meas)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 4.980
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.537
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [1.480,1.430],
"number_observations": 14599,
"number_observations_unique": 2204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(meas)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 5.680
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.624
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [1.540,1.480],
"number_observations": 13871,
"number_observations_unique": 2141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 7.410
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.479
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.600,1.540],
"number_observations": 12765,
"number_observations_unique": 2059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 9.510
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.670,1.600],
"number_observations": 12635,
"number_observations_unique": 1974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 11.260
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.401
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.750,1.670],
"number_observations": 12722,
"number_observations_unique": 1904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 14.380
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.682
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.850,1.750],
"number_observations": 12010,
"number_observations_unique": 1811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 17.830
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.632
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.960,1.850],
"number_observations": 10930,
"number_observations_unique": 1720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 22.950
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.355
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.100,1.960],
"number_observations": 9902,
"number_observations_unique": 1633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 26.730
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.064
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.260,2.100],
"number_observations": 10144,
"number_observations_unique": 1534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 32.190
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.613
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.480,2.260],
"number_observations": 9136,
"number_observations_unique": 1427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 33.850
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.402
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.770,2.480],
"number_observations": 7624,
"number_observations_unique": 1269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 35.380
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.008
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.200,2.770],
"number_observations": 6771,
"number_observations_unique": 1157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 38.690
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.852
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.920,3.200],
"number_observations": 6056,
"number_observations_unique": 978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 44.720
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.192
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.550,3.920],
"number_observations": 4313,
"number_observations_unique": 787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 43.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.480
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [36.080,5.550],
"number_observations": 2682,
"number_observations_unique": 474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 42.730
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.658
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}