Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54ae0ce025204d6ee765c195b6d163e5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.68,
"b": 93.29,
"c": 65.25,
"alpha": 90.000,
"beta": 90.103,
"gamma": 90.000
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.900],
"number_observations_unique": 52076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 16.260
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.672
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 3372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(meas)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 3.040
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 2.991
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 3740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 3.650
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.331
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations_unique": 3660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.319
},
{
"type": "I/SigI",
"value": 5.430
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.745
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations_unique": 3618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "I/SigI",
"value": 6.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.781
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations_unique": 3460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.782
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.270,2.190],
"number_observations_unique": 3373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 10.250
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.775
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations_unique": 3187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 11.910
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.792
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.450,2.360],
"number_observations_unique": 3139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 13.320
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.791
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.560,2.450],
"number_observations_unique": 2956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 16.370
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.783
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations_unique": 2876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 18.490
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.778
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.830,2.690],
"number_observations_unique": 2709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 20.880
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.798
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.000,2.830],
"number_observations_unique": 2572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 24.060
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.782
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.210,3.000],
"number_observations_unique": 2427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 26.470
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.756
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.470,3.210],
"number_observations_unique": 2274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 29.330
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.730
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations_unique": 2073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 31.360
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.727
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations_unique": 1872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 32.570
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.712
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations_unique": 1650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 33.580
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.660
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.010,4.910],
"number_observations_unique": 1410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 32.870
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.500,6.010],
"number_observations_unique": 1094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 33.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.604
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50,8.500],
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 33.770
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.393
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}