Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8c779fa8df9515377f374a87cf77d2b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 61.38,
"b": 94.07,
"c": 94.06,
"alpha": 90.00,
"beta": 90.03,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.115,1.700],
"number_observations": 788173,
"number_observations_unique": 117240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.723
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 59182,
"number_observations_unique": 8597,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.496
},
{
"type": "R(meas)",
"value": 1.619
},
{
"type": "I/SigI",
"value": 1.250
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.884
},
{
"type": "CC(1/2)",
"value": 0.639
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations": 56948,
"number_observations_unique": 8398,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.087
},
{
"type": "R(meas)",
"value": 1.178
},
{
"type": "I/SigI",
"value": 1.750
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.781
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations": 54678,
"number_observations_unique": 8267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.789
},
{
"type": "R(meas)",
"value": 0.857
},
{
"type": "I/SigI",
"value": 2.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.614
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations": 49166,
"number_observations_unique": 7940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "R(meas)",
"value": 0.556
},
{
"type": "I/SigI",
"value": 3.870
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.192
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations": 52362,
"number_observations_unique": 7686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "R(meas)",
"value": 0.449
},
{
"type": "I/SigI",
"value": 5.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.813
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [2.030,1.960],
"number_observations": 51854,
"number_observations_unique": 7479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(meas)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 6.990
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.933
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.110,2.030],
"number_observations": 49276,
"number_observations_unique": 7199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 9.470
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.845
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.190,2.110],
"number_observations": 47974,
"number_observations_unique": 6961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 12.450
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.892
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.290,2.190],
"number_observations": 45843,
"number_observations_unique": 6719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 15.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.823
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.400,2.290],
"number_observations": 39934,
"number_observations_unique": 6290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 19.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.349
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.530,2.400],
"number_observations": 41681,
"number_observations_unique": 6088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 24.770
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.846
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.690,2.530],
"number_observations": 40598,
"number_observations_unique": 5727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 30.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.089
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.870,2.690],
"number_observations": 37722,
"number_observations_unique": 5397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 35.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.989
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.100,2.870],
"number_observations": 33956,
"number_observations_unique": 5012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 41.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.775
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.400,3.100],
"number_observations": 28618,
"number_observations_unique": 4637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 45.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.172
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.800,3.400],
"number_observations": 27042,
"number_observations_unique": 4189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 53.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.455
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.390,3.800],
"number_observations": 25691,
"number_observations_unique": 3718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 60.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.910
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.380,4.390],
"number_observations": 21086,
"number_observations_unique": 3136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 61.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.724
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [7.600,5.380],
"number_observations": 14919,
"number_observations_unique": 2438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 57.410
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.119
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [45.115,7.600],
"number_observations": 9643,
"number_observations_unique": 1362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 67.660
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.080
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}