Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ff2bdf23061bbc1812fc3ccaa82cf35",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 55.19,
"b": 63.47,
"c": 40.00,
"alpha": 90.00,
"beta": 109.55,
"gamma": 90.00
},
"wavelengths": [1.54170],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.694,1.550],
"number_observations": 39475,
"number_observations_unique": 18648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 31.390
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.117
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 1745,
"number_observations_unique": 1308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 1.334
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.630,1.590],
"number_observations": 1940,
"number_observations_unique": 1367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 12.830
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 1.419
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.680,1.630],
"number_observations": 2020,
"number_observations_unique": 1315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 15.470
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 1.536
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations": 2036,
"number_observations_unique": 1273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 16.460
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 1.599
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations": 2035,
"number_observations_unique": 1222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 18.810
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 1.665
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations": 2028,
"number_observations_unique": 1179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 21.640
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 1.720
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.920,1.850],
"number_observations": 2040,
"number_observations_unique": 1158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 24.070
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 1.762
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.000,1.920],
"number_observations": 2006,
"number_observations_unique": 1122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 26.780
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 1.788
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.090,2.000],
"number_observations": 1886,
"number_observations_unique": 1037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 29.290
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 1.819
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.190,2.090],
"number_observations": 1922,
"number_observations_unique": 1011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 33.880
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 1.901
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.310,2.190],
"number_observations": 1887,
"number_observations_unique": 952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 35.680
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 1.982
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.450,2.310],
"number_observations": 1951,
"number_observations_unique": 917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 38.960
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 2.128
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.620,2.450],
"number_observations": 2137,
"number_observations_unique": 857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.494
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.830,2.620],
"number_observations": 2572,
"number_observations_unique": 818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 51.330
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.144
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.100,2.830],
"number_observations": 2661,
"number_observations_unique": 728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 58.580
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.655
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.470,3.100],
"number_observations": 2456,
"number_observations_unique": 670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 60.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.666
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.000,3.470],
"number_observations": 2222,
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 62.780
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.661
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.900,4.000],
"number_observations": 1815,
"number_observations_unique": 496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 63.820
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.659
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.930,4.900],
"number_observations": 1411,
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 62.490
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.545
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [37.694,6.930],
"number_observations": 705,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 61.400
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.310
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}