Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d50c476561720f1fd5a3e74c4fe4df2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 104.64,
"b": 158.15,
"c": 180.17,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.680,2.300],
"number_observations": 901095,
"number_observations_unique": 132845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 13.080
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.783
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations": 68795,
"number_observations_unique": 9731,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.756
},
{
"type": "R(meas)",
"value": 1.896
},
{
"type": "I/SigI",
"value": 1.130
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.070
},
{
"type": "CC(1/2)",
"value": 0.508
}
]
},
{
"resolution_limits": [2.420,2.360],
"number_observations": 66673,
"number_observations_unique": 9482,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.381
},
{
"type": "R(meas)",
"value": 1.491
},
{
"type": "I/SigI",
"value": 1.460
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.032
},
{
"type": "CC(1/2)",
"value": 0.613
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations": 64079,
"number_observations_unique": 9241,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.049
},
{
"type": "R(meas)",
"value": 1.135
},
{
"type": "I/SigI",
"value": 1.920
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.934
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
},
{
"resolution_limits": [2.570,2.490],
"number_observations": 61083,
"number_observations_unique": 8948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.851
},
{
"type": "R(meas)",
"value": 0.922
},
{
"type": "I/SigI",
"value": 2.320
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.826
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [2.660,2.570],
"number_observations": 56419,
"number_observations_unique": 8668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "R(meas)",
"value": 0.720
},
{
"type": "I/SigI",
"value": 2.880
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.509
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [2.750,2.660],
"number_observations": 55770,
"number_observations_unique": 8456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "R(meas)",
"value": 0.596
},
{
"type": "I/SigI",
"value": 3.510
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.595
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [2.850,2.750],
"number_observations": 56319,
"number_observations_unique": 8110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "R(meas)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 4.670
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.944
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.970,2.850],
"number_observations": 55375,
"number_observations_unique": 7847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 6.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.057
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [3.100,2.970],
"number_observations": 52633,
"number_observations_unique": 7551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 8.490
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.970
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.250,3.100],
"number_observations": 49699,
"number_observations_unique": 7195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 11.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.907
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.430,3.250],
"number_observations": 44937,
"number_observations_unique": 6834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 14.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.576
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.640,3.430],
"number_observations": 42047,
"number_observations_unique": 6524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 17.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.445
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.890,3.640],
"number_observations": 42101,
"number_observations_unique": 6079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 22.050
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.926
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.200,3.890],
"number_observations": 39466,
"number_observations_unique": 5724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.895
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.600,4.200],
"number_observations": 35437,
"number_observations_unique": 5271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 34.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.723
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.140,4.600],
"number_observations": 29877,
"number_observations_unique": 4804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 35.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.219
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.940,5.140],
"number_observations": 27946,
"number_observations_unique": 4248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 34.850
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.579
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.270,5.940],
"number_observations": 24756,
"number_observations_unique": 3643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 37.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.795
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.290,7.270],
"number_observations": 17470,
"number_observations_unique": 2835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 50.550
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.162
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [62.680,10.290],
"number_observations": 10213,
"number_observations_unique": 1654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 61.880
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.175
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}