Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "198ae66effee7e4ffb5040ab9a12af86",
"space_group_name": "P 64 2 2",
"unit_cell": {
"a": 73.967,
"b": 73.967,
"c": 127.575,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.240,2.200],
"number_observations": 74623,
"number_observations_unique": 10985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 15.960
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.793
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 3224,
"number_observations_unique": 770,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.166
},
{
"type": "R(meas)",
"value": 1.325
},
{
"type": "I/SigI",
"value": 1.210
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.187
},
{
"type": "CC(1/2)",
"value": 0.386
}
]
},
{
"resolution_limits": [2.320,2.260],
"number_observations": 3243,
"number_observations_unique": 778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.961
},
{
"type": "R(meas)",
"value": 1.091
},
{
"type": "I/SigI",
"value": 1.520
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.168
},
{
"type": "CC(1/2)",
"value": 0.493
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations": 3160,
"number_observations_unique": 755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.934
},
{
"type": "R(meas)",
"value": 1.062
},
{
"type": "I/SigI",
"value": 1.620
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.185
},
{
"type": "CC(1/2)",
"value": 0.546
}
]
},
{
"resolution_limits": [2.460,2.390],
"number_observations": 3160,
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.744
},
{
"type": "R(meas)",
"value": 0.845
},
{
"type": "I/SigI",
"value": 1.990
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.329
},
{
"type": "CC(1/2)",
"value": 0.683
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations": 3147,
"number_observations_unique": 705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.645
},
{
"type": "R(meas)",
"value": 0.728
},
{
"type": "I/SigI",
"value": 2.390
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.464
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
},
{
"resolution_limits": [2.630,2.540],
"number_observations": 3087,
"number_observations_unique": 679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(meas)",
"value": 0.541
},
{
"type": "I/SigI",
"value": 3.180
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.546
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [2.730,2.630],
"number_observations": 3747,
"number_observations_unique": 669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.432
},
{
"type": "R(meas)",
"value": 0.478
},
{
"type": "I/SigI",
"value": 4.130
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.601
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [2.840,2.730],
"number_observations": 4458,
"number_observations_unique": 652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "R(meas)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 5.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.837
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.970,2.840],
"number_observations": 4599,
"number_observations_unique": 619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "I/SigI",
"value": 7.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.430
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [3.110,2.970],
"number_observations": 4666,
"number_observations_unique": 596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 11.730
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.829
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.280,3.110],
"number_observations": 4751,
"number_observations_unique": 554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 8.576
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.480,3.280],
"number_observations": 4712,
"number_observations_unique": 537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 22.310
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 8.775
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.720,3.480],
"number_observations": 5133,
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 30.450
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.045
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.020,3.720],
"number_observations": 4926,
"number_observations_unique": 480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 39.320
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.262
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.400,4.020],
"number_observations": 4648,
"number_observations_unique": 450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 45.960
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.329
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.920,4.400],
"number_observations": 4125,
"number_observations_unique": 412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 48.860
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 10.012
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.680,4.920],
"number_observations": 3657,
"number_observations_unique": 365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 39.950
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.019
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.960,5.680],
"number_observations": 2981,
"number_observations_unique": 311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 40.470
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 9.585
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.840,6.960],
"number_observations": 2261,
"number_observations_unique": 255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 63.690
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 8.867
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [45.240,9.840],
"number_observations": 938,
"number_observations_unique": 157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 59.060
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 5.975
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}