Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "36fc1b169cbabda2e8baf4c5f5991693",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 45.015,
"b": 59.359,
"c": 162.405,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99983],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.36,2.250],
"number_observations": 140049,
"number_observations_unique": 21454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 19.950
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.528
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.250],
"number_observations": 10640,
"number_observations_unique": 1539,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.008
},
{
"type": "R(meas)",
"value": 2.169
},
{
"type": "I/SigI",
"value": 0.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.914
},
{
"type": "CC(1/2)",
"value": 0.358
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations": 10455,
"number_observations_unique": 1530,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.460
},
{
"type": "R(meas)",
"value": 1.578
},
{
"type": "I/SigI",
"value": 1.170
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.833
},
{
"type": "CC(1/2)",
"value": 0.548
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations": 9905,
"number_observations_unique": 1456,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.188
},
{
"type": "R(meas)",
"value": 1.284
},
{
"type": "I/SigI",
"value": 1.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.803
},
{
"type": "CC(1/2)",
"value": 0.677
}
]
},
{
"resolution_limits": [2.520,2.440],
"number_observations": 9658,
"number_observations_unique": 1449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.845
},
{
"type": "R(meas)",
"value": 0.915
},
{
"type": "I/SigI",
"value": 2.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.665
},
{
"type": "CC(1/2)",
"value": 0.757
}
]
},
{
"resolution_limits": [2.600,2.520],
"number_observations": 9073,
"number_observations_unique": 1375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "R(meas)",
"value": 0.619
},
{
"type": "I/SigI",
"value": 3.130
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.599
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [2.690,2.600],
"number_observations": 8361,
"number_observations_unique": 1358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "R(meas)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 4.190
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.157
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [2.790,2.690],
"number_observations": 8762,
"number_observations_unique": 1308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "R(meas)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 5.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.699
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.900,2.790],
"number_observations": 8541,
"number_observations_unique": 1249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 8.570
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.838
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.030,2.900],
"number_observations": 8221,
"number_observations_unique": 1219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 12.510
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.744
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.180,3.030],
"number_observations": 7770,
"number_observations_unique": 1157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 16.940
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.716
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.350,3.180],
"number_observations": 7145,
"number_observations_unique": 1103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 23.880
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.478
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.560,3.350],
"number_observations": 6375,
"number_observations_unique": 1058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 30.480
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.026
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.800,3.560],
"number_observations": 6621,
"number_observations_unique": 986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 41.150
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.715
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.110,3.800],
"number_observations": 6237,
"number_observations_unique": 940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 47.570
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.635
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.500,4.110],
"number_observations": 5579,
"number_observations_unique": 862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 55.080
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.472
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [5.030,4.500],
"number_observations": 4650,
"number_observations_unique": 784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 54.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.931
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [5.810,5.030],
"number_observations": 4185,
"number_observations_unique": 698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 55.580
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.996
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [7.120,5.810],
"number_observations": 3704,
"number_observations_unique": 602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 57.570
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.153
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.060,7.120],
"number_observations": 2619,
"number_observations_unique": 486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 61.560
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.389
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [59.360,10.060],
"number_observations": 1548,
"number_observations_unique": 295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 65.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.247
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}