Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf9110a7b23f9d54a783f3514e79c2ce",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.36,
"b": 34.89,
"c": 110.69,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.448,1.550],
"number_observations": 232153,
"number_observations_unique": 35015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 25.580
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.630
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 17885,
"number_observations_unique": 2512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "R(meas)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 6.880
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 7.120
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [1.630,1.590],
"number_observations": 17233,
"number_observations_unique": 2471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 7.960
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.974
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.680,1.630],
"number_observations": 16734,
"number_observations_unique": 2411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 9.890
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.941
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations": 16282,
"number_observations_unique": 2361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 11.610
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.896
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations": 15520,
"number_observations_unique": 2292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 14.650
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.771
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations": 14641,
"number_observations_unique": 2199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 16.930
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.658
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.920,1.850],
"number_observations": 13921,
"number_observations_unique": 2167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 19.680
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.424
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.000,1.920],
"number_observations": 11831,
"number_observations_unique": 1983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 22.650
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 5.966
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.090,2.000],
"number_observations": 12867,
"number_observations_unique": 1941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 27.900
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 6.629
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.190,2.090],
"number_observations": 13318,
"number_observations_unique": 1928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 33.090
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.908
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.310,2.190],
"number_observations": 12552,
"number_observations_unique": 1854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 35.970
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.770
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.450,2.310],
"number_observations": 11709,
"number_observations_unique": 1711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 37.970
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.843
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.620,2.450],
"number_observations": 10950,
"number_observations_unique": 1649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 39.870
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.640
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.830,2.620],
"number_observations": 10067,
"number_observations_unique": 1543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 41.540
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.524
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.100,2.830],
"number_observations": 8985,
"number_observations_unique": 1422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 42.810
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.319
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.470,3.100],
"number_observations": 7646,
"number_observations_unique": 1300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 43.410
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.882
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.000,3.470],
"number_observations": 6259,
"number_observations_unique": 1068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 44.620
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 5.860
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.900,4.000],
"number_observations": 6447,
"number_observations_unique": 990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 48.840
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.512
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.930,4.900],
"number_observations": 5012,
"number_observations_unique": 795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 47.560
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.304
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [30.448,6.930],
"number_observations": 2294,
"number_observations_unique": 418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 43.930
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 5.488
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}