Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "521742b93fa4bc541526bc93a72913cf",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.672,
"b": 135.672,
"c": 235.693,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.64,1.980],
"number_observations": 589138,
"number_observations_unique": 112599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 16.350
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.232
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 43490,
"number_observations_unique": 8347,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.030
},
{
"type": "R(meas)",
"value": 1.147
},
{
"type": "I/SigI",
"value": 1.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.210
},
{
"type": "CC(1/2)",
"value": 0.600
}
]
},
{
"resolution_limits": [2.090,2.030],
"number_observations": 40469,
"number_observations_unique": 8131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.804
},
{
"type": "R(meas)",
"value": 0.901
},
{
"type": "I/SigI",
"value": 2.120
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.977
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [2.150,2.090],
"number_observations": 40135,
"number_observations_unique": 7854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.608
},
{
"type": "R(meas)",
"value": 0.679
},
{
"type": "I/SigI",
"value": 2.740
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.110
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [2.210,2.150],
"number_observations": 41809,
"number_observations_unique": 7690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "R(meas)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 3.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.437
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [2.290,2.210],
"number_observations": 39592,
"number_observations_unique": 7412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "R(meas)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 4.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.342
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [2.370,2.290],
"number_observations": 38648,
"number_observations_unique": 7235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 6.320
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.342
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [2.460,2.370],
"number_observations": 36292,
"number_observations_unique": 6910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 7.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.252
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.560,2.460],
"number_observations": 33432,
"number_observations_unique": 6671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 9.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.012
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.670,2.560],
"number_observations": 33909,
"number_observations_unique": 6427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 12.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.276
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.800,2.670],
"number_observations": 33139,
"number_observations_unique": 6091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.441
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.950,2.800],
"number_observations": 31610,
"number_observations_unique": 5841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 18.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.412
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.130,2.950],
"number_observations": 29325,
"number_observations_unique": 5512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 22.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.320
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.350,3.130],
"number_observations": 25626,
"number_observations_unique": 5128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 27.570
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.997
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.610,3.350],
"number_observations": 25848,
"number_observations_unique": 4843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 35.380
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.337
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.960,3.610],
"number_observations": 23883,
"number_observations_unique": 4450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 40.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.367
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.430,3.960],
"number_observations": 20920,
"number_observations_unique": 3988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 45.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.246
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.110,4.430],
"number_observations": 16869,
"number_observations_unique": 3520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 45.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.792
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.260,5.110],
"number_observations": 16201,
"number_observations_unique": 2995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 46.770
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.409
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.850,6.260],
"number_observations": 11528,
"number_observations_unique": 2284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 49.550
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.047
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.640,8.850],
"number_observations": 6413,
"number_observations_unique": 1270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 57.620
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.050
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}