Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79d556011eb789cb980494876377a6e1",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 71.73,
"b": 108.49,
"c": 36.12,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.245,2.300],
"number_observations": 39195,
"number_observations_unique": 6585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 20.580
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.952
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations": 2907,
"number_observations_unique": 480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 5.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.056
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [2.420,2.360],
"number_observations": 2873,
"number_observations_unique": 475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 6.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.048
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.500,2.420],
"number_observations": 2721,
"number_observations_unique": 445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.115
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.570,2.500],
"number_observations": 2670,
"number_observations_unique": 439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 9.410
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.082
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.660,2.570],
"number_observations": 2565,
"number_observations_unique": 426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 10.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.021
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.750,2.660],
"number_observations": 2545,
"number_observations_unique": 416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 12.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.118
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.850,2.750],
"number_observations": 2405,
"number_observations_unique": 399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 13.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.028
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.970,2.850],
"number_observations": 2325,
"number_observations_unique": 384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 14.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.055
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.100,2.970],
"number_observations": 2241,
"number_observations_unique": 375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 17.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.976
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.250,3.100],
"number_observations": 2153,
"number_observations_unique": 353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 22.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.099
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.430,3.250],
"number_observations": 1973,
"number_observations_unique": 329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.997
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.640,3.430],
"number_observations": 1922,
"number_observations_unique": 326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 32.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.896
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.890,3.640],
"number_observations": 1787,
"number_observations_unique": 301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 36.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.937
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.200,3.890],
"number_observations": 1679,
"number_observations_unique": 286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 40.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.871
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.600,4.200],
"number_observations": 1540,
"number_observations_unique": 263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 39.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.856
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.140,4.600],
"number_observations": 1413,
"number_observations_unique": 247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 36.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.721
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.940,5.140],
"number_observations": 1234,
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 36.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.766
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.270,5.940],
"number_observations": 1043,
"number_observations_unique": 189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 37.530
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.519
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.290,7.270],
"number_observations": 761,
"number_observations_unique": 143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 44.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.322
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [54.245,10.290],
"number_observations": 438,
"number_observations_unique": 95,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 46.960
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.611
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}