Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "90db07ead5712a34c01d451d7442e95a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 83.866,
"b": 91.529,
"c": 119.663,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99997],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.71,1.910],
"number_observations": 478908,
"number_observations_unique": 72086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 9.420
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.644
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.910],
"number_observations": 36308,
"number_observations_unique": 5257,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.074
},
{
"type": "R(meas)",
"value": 2.244
},
{
"type": "I/SigI",
"value": 1.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.907
},
{
"type": "CC(1/2)",
"value": 0.317
}
]
},
{
"resolution_limits": [2.010,1.960],
"number_observations": 35119,
"number_observations_unique": 5126,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.613
},
{
"type": "R(meas)",
"value": 1.746
},
{
"type": "I/SigI",
"value": 1.410
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.851
},
{
"type": "CC(1/2)",
"value": 0.479
}
]
},
{
"resolution_limits": [2.070,2.010],
"number_observations": 33754,
"number_observations_unique": 4991,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.304
},
{
"type": "R(meas)",
"value": 1.413
},
{
"type": "I/SigI",
"value": 1.770
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.763
},
{
"type": "CC(1/2)",
"value": 0.565
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations": 32036,
"number_observations_unique": 4843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.988
},
{
"type": "R(meas)",
"value": 1.073
},
{
"type": "I/SigI",
"value": 2.330
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.615
},
{
"type": "CC(1/2)",
"value": 0.710
}
]
},
{
"resolution_limits": [2.210,2.140],
"number_observations": 29534,
"number_observations_unique": 4724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.764
},
{
"type": "R(meas)",
"value": 0.835
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.252
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
{
"resolution_limits": [2.280,2.210],
"number_observations": 29159,
"number_observations_unique": 4567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.635
},
{
"type": "R(meas)",
"value": 0.692
},
{
"type": "I/SigI",
"value": 3.510
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.385
},
{
"type": "CC(1/2)",
"value": 0.827
}
]
},
{
"resolution_limits": [2.370,2.280],
"number_observations": 30090,
"number_observations_unique": 4392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.486
},
{
"type": "R(meas)",
"value": 0.527
},
{
"type": "I/SigI",
"value": 4.730
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.851
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [2.470,2.370],
"number_observations": 29275,
"number_observations_unique": 4270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.394
},
{
"type": "R(meas)",
"value": 0.426
},
{
"type": "I/SigI",
"value": 5.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.856
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [2.580,2.470],
"number_observations": 27870,
"number_observations_unique": 4081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 6.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.829
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations": 26482,
"number_observations_unique": 3917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.761
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.850,2.700],
"number_observations": 23462,
"number_observations_unique": 3705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 10.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.333
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.020,2.850],
"number_observations": 23414,
"number_observations_unique": 3534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 12.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.625
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.230,3.020],
"number_observations": 23203,
"number_observations_unique": 3320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 15.770
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.989
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.490,3.230],
"number_observations": 21218,
"number_observations_unique": 3107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 19.430
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.829
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.820,3.490],
"number_observations": 18960,
"number_observations_unique": 2868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 22.430
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.611
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.270,3.820],
"number_observations": 15863,
"number_observations_unique": 2599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 24.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.104
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.930,4.270],
"number_observations": 15051,
"number_observations_unique": 2320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 27.240
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.488
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.040,4.930],
"number_observations": 13112,
"number_observations_unique": 1982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 26.670
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.616
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [8.540,6.040],
"number_observations": 9400,
"number_observations_unique": 1560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 26.930
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.026
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [48.710,8.540],
"number_observations": 5598,
"number_observations_unique": 923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 32.710
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.065
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}