Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "39eac7d1c29f36cedb5ae0bd69457f8b",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.738,
"b": 135.738,
"c": 236.149,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.820,2.500],
"number_observations": 285035,
"number_observations_unique": 56076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 6.650
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.083
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.560,2.500],
"number_observations": 20922,
"number_observations_unique": 4158,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.417
},
{
"type": "R(meas)",
"value": 1.583
},
{
"type": "I/SigI",
"value": 1.210
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.032
},
{
"type": "CC(1/2)",
"value": 0.332
}
]
},
{
"resolution_limits": [2.640,2.560],
"number_observations": 20421,
"number_observations_unique": 4058,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.160
},
{
"type": "R(meas)",
"value": 1.296
},
{
"type": "I/SigI",
"value": 1.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.032
},
{
"type": "CC(1/2)",
"value": 0.429
}
]
},
{
"resolution_limits": [2.710,2.640],
"number_observations": 20304,
"number_observations_unique": 3942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.963
},
{
"type": "R(meas)",
"value": 1.073
},
{
"type": "I/SigI",
"value": 1.840
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.151
},
{
"type": "CC(1/2)",
"value": 0.530
}
]
},
{
"resolution_limits": [2.800,2.710],
"number_observations": 20455,
"number_observations_unique": 3800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.862
},
{
"type": "R(meas)",
"value": 0.955
},
{
"type": "I/SigI",
"value": 2.160
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.383
},
{
"type": "CC(1/2)",
"value": 0.582
}
]
},
{
"resolution_limits": [2.890,2.800],
"number_observations": 19673,
"number_observations_unique": 3699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.685
},
{
"type": "R(meas)",
"value": 0.761
},
{
"type": "I/SigI",
"value": 2.710
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.318
},
{
"type": "CC(1/2)",
"value": 0.712
}
]
},
{
"resolution_limits": [2.990,2.890],
"number_observations": 18820,
"number_observations_unique": 3591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.583
},
{
"type": "R(meas)",
"value": 0.648
},
{
"type": "I/SigI",
"value": 3.190
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.241
},
{
"type": "CC(1/2)",
"value": 0.763
}
]
},
{
"resolution_limits": [3.100,2.990],
"number_observations": 17596,
"number_observations_unique": 3447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.464
},
{
"type": "R(meas)",
"value": 0.518
},
{
"type": "I/SigI",
"value": 3.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.105
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
},
{
"resolution_limits": [3.230,3.100],
"number_observations": 16423,
"number_observations_unique": 3320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "R(meas)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 4.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.947
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [3.370,3.230],
"number_observations": 16464,
"number_observations_unique": 3237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "R(meas)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 6.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.086
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [3.540,3.370],
"number_observations": 15657,
"number_observations_unique": 2995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 8.010
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.228
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [3.730,3.540],
"number_observations": 14952,
"number_observations_unique": 2916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 9.310
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.128
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [3.950,3.730],
"number_observations": 13736,
"number_observations_unique": 2739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 10.520
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.015
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [4.230,3.950],
"number_observations": 12184,
"number_observations_unique": 2571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 11.680
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.739
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [4.560,4.230],
"number_observations": 11845,
"number_observations_unique": 2392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 12.780
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.952
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [5.000,4.560],
"number_observations": 11266,
"number_observations_unique": 2215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 13.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.086
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [5.590,5.000],
"number_observations": 9997,
"number_observations_unique": 1991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 13.770
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.021
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [6.460,5.590],
"number_observations": 8273,
"number_observations_unique": 1755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.714
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [7.910,6.460],
"number_observations": 7535,
"number_observations_unique": 1494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 15.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.044
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [11.180,7.910],
"number_observations": 5436,
"number_observations_unique": 1138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 16.950
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.777
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [43.820,11.180],
"number_observations": 3076,
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 17.970
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.977
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}