Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fe9504656eeb0a53c53a5eb79d4e1d17",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 87.265,
"b": 87.265,
"c": 104.103,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [75.574,1.950],
"number_observations": 651902,
"number_observations_unique": 33312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 24.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 19.570
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 47193,
"number_observations_unique": 2419,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.027
},
{
"type": "R(meas)",
"value": 3.107
},
{
"type": "I/SigI",
"value": 1.010
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 19.509
},
{
"type": "CC(1/2)",
"value": 0.416
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations": 45832,
"number_observations_unique": 2398,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.284
},
{
"type": "R(meas)",
"value": 2.346
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 19.113
},
{
"type": "CC(1/2)",
"value": 0.520
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations": 48067,
"number_observations_unique": 2315,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.704
},
{
"type": "R(meas)",
"value": 1.747
},
{
"type": "I/SigI",
"value": 1.910
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 20.763
},
{
"type": "CC(1/2)",
"value": 0.727
}
]
},
{
"resolution_limits": [2.180,2.120],
"number_observations": 46363,
"number_observations_unique": 2223,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.383
},
{
"type": "R(meas)",
"value": 2.442
},
{
"type": "I/SigI",
"value": 1.470
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 20.856
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [2.250,2.180],
"number_observations": 43049,
"number_observations_unique": 2124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.724
},
{
"type": "R(meas)",
"value": 0.743
},
{
"type": "I/SigI",
"value": 4.740
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 20.268
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [2.330,2.250],
"number_observations": 42439,
"number_observations_unique": 2116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.814
},
{
"type": "R(meas)",
"value": 0.835
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 20.056
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [2.420,2.330],
"number_observations": 38971,
"number_observations_unique": 2058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(meas)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 7.060
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 18.936
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [2.520,2.420],
"number_observations": 39320,
"number_observations_unique": 2002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 9.070
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 19.640
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.630,2.520],
"number_observations": 39262,
"number_observations_unique": 1895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 20.719
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.760,2.630],
"number_observations": 37407,
"number_observations_unique": 1815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 17.330
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 20.610
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.910,2.760],
"number_observations": 36039,
"number_observations_unique": 1770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 24.580
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 20.361
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.080,2.910],
"number_observations": 31109,
"number_observations_unique": 1642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 32.870
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 18.946
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.300,3.080],
"number_observations": 29440,
"number_observations_unique": 1544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 45.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 19.067
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.560,3.300],
"number_observations": 29094,
"number_observations_unique": 1465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 55.610
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 19.859
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.900,3.560],
"number_observations": 19945,
"number_observations_unique": 1096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 64.830
},
{
"type": "Completeness",
"value": 80.400
},
{
"type": "Redundancy",
"value": 18.198
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.360,3.900],
"number_observations": 21893,
"number_observations_unique": 1225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 74.850
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.872
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [5.030,4.360],
"number_observations": 19245,
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 81.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.575
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [6.170,5.030],
"number_observations": 17477,
"number_observations_unique": 933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 81.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.732
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [8.720,6.170],
"number_observations": 12483,
"number_observations_unique": 741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 81.270
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.846
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [75.574,8.720],
"number_observations": 7274,
"number_observations_unique": 436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 91.740
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 16.683
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}