Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bfb9179b59378b667f1131eedf70acce",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 129.96,
"b": 51.96,
"c": 60.49,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99997],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.98,2.480],
"number_observations": 96808,
"number_observations_unique": 15040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 12.360
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.437
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.480],
"number_observations": 7451,
"number_observations_unique": 1090,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.255
},
{
"type": "R(meas)",
"value": 2.439
},
{
"type": "I/SigI",
"value": 0.790
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.836
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
},
{
"resolution_limits": [2.610,2.540],
"number_observations": 7314,
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.807
},
{
"type": "R(meas)",
"value": 1.955
},
{
"type": "I/SigI",
"value": 1.020
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.829
},
{
"type": "CC(1/2)",
"value": 0.460
}
]
},
{
"resolution_limits": [2.690,2.610],
"number_observations": 6865,
"number_observations_unique": 1025,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.418
},
{
"type": "R(meas)",
"value": 1.537
},
{
"type": "I/SigI",
"value": 1.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.698
},
{
"type": "CC(1/2)",
"value": 0.555
}
]
},
{
"resolution_limits": [2.770,2.690],
"number_observations": 6704,
"number_observations_unique": 1013,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.013
},
{
"type": "R(meas)",
"value": 1.100
},
{
"type": "I/SigI",
"value": 1.850
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.618
},
{
"type": "CC(1/2)",
"value": 0.713
}
]
},
{
"resolution_limits": [2.860,2.770],
"number_observations": 6225,
"number_observations_unique": 1002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.755
},
{
"type": "R(meas)",
"value": 0.825
},
{
"type": "I/SigI",
"value": 2.370
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.213
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [2.960,2.860],
"number_observations": 6019,
"number_observations_unique": 918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.518
},
{
"type": "R(meas)",
"value": 0.563
},
{
"type": "I/SigI",
"value": 3.530
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.557
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [3.080,2.960],
"number_observations": 6322,
"number_observations_unique": 930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "R(meas)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 5.460
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.798
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [3.200,3.080],
"number_observations": 5966,
"number_observations_unique": 886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 7.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.734
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.340,3.200],
"number_observations": 5599,
"number_observations_unique": 853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 10.390
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.564
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.510,3.340],
"number_observations": 4953,
"number_observations_unique": 809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 12.250
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.122
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.700,3.510],
"number_observations": 4316,
"number_observations_unique": 745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 15.940
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 5.793
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.920,3.700],
"number_observations": 4603,
"number_observations_unique": 706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 20.270
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 6.520
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.190,3.920],
"number_observations": 4537,
"number_observations_unique": 697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 24.370
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.509
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.530,4.190],
"number_observations": 4069,
"number_observations_unique": 656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 27.410
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.203
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.960,4.530],
"number_observations": 3776,
"number_observations_unique": 609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 29.850
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.550,4.960],
"number_observations": 3574,
"number_observations_unique": 554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 31.670
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.451
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.400,5.550],
"number_observations": 3022,
"number_observations_unique": 493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 28.970
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.130
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.840,6.400],
"number_observations": 2432,
"number_observations_unique": 424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 31.880
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.736
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [11.090,7.840],
"number_observations": 2051,
"number_observations_unique": 349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 36.450
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.877
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [64.980,11.090],
"number_observations": 1010,
"number_observations_unique": 210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 34.000
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.810
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}