Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "462d9deb4e32f0aafc338ff16f5cea7a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 104.67,
"b": 157.87,
"c": 179.17,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.020,2.150],
"number_observations": 1075851,
"number_observations_unique": 159163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 9.480
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.759
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 74403,
"number_observations_unique": 11800,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.842
},
{
"type": "R(meas)",
"value": 3.099
},
{
"type": "I/SigI",
"value": 0.580
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.305
},
{
"type": "CC(1/2)",
"value": 0.238
}
]
},
{
"resolution_limits": [2.270,2.210],
"number_observations": 60615,
"number_observations_unique": 9557,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.261
},
{
"type": "R(meas)",
"value": 2.460
},
{
"type": "I/SigI",
"value": 0.740
},
{
"type": "Completeness",
"value": 82.900
},
{
"type": "Redundancy",
"value": 6.342
},
{
"type": "CC(1/2)",
"value": 0.322
}
]
},
{
"resolution_limits": [2.330,2.270],
"number_observations": 79385,
"number_observations_unique": 11195,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.688
},
{
"type": "R(meas)",
"value": 1.821
},
{
"type": "I/SigI",
"value": 1.110
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.091
},
{
"type": "CC(1/2)",
"value": 0.473
}
]
},
{
"resolution_limits": [2.400,2.330],
"number_observations": 76564,
"number_observations_unique": 10840,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.329
},
{
"type": "R(meas)",
"value": 1.434
},
{
"type": "I/SigI",
"value": 1.420
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.063
},
{
"type": "CC(1/2)",
"value": 0.619
}
]
},
{
"resolution_limits": [2.480,2.400],
"number_observations": 73683,
"number_observations_unique": 10566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.983
},
{
"type": "R(meas)",
"value": 1.062
},
{
"type": "I/SigI",
"value": 1.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.974
},
{
"type": "CC(1/2)",
"value": 0.727
}
]
},
{
"resolution_limits": [2.570,2.480],
"number_observations": 70064,
"number_observations_unique": 10221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "R(meas)",
"value": 0.856
},
{
"type": "I/SigI",
"value": 2.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.855
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [2.670,2.570],
"number_observations": 64493,
"number_observations_unique": 9885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.608
},
{
"type": "R(meas)",
"value": 0.661
},
{
"type": "I/SigI",
"value": 3.030
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.524
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [2.780,2.670],
"number_observations": 62752,
"number_observations_unique": 9488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "R(meas)",
"value": 0.513
},
{
"type": "I/SigI",
"value": 3.860
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.614
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [2.900,2.780],
"number_observations": 64554,
"number_observations_unique": 9115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 5.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.082
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [3.040,2.900],
"number_observations": 61307,
"number_observations_unique": 8746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 7.180
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.010
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [3.210,3.040],
"number_observations": 57850,
"number_observations_unique": 8326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 9.770
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.948
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.400,3.210],
"number_observations": 53059,
"number_observations_unique": 7874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 12.720
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.739
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.630,3.400],
"number_observations": 47843,
"number_observations_unique": 7424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 16.330
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.444
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.930,3.630],
"number_observations": 48500,
"number_observations_unique": 6922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 21.280
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.007
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.300,3.930],
"number_observations": 44455,
"number_observations_unique": 6399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.947
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.810,4.300],
"number_observations": 39174,
"number_observations_unique": 5813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 28.780
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.739
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.550,4.810],
"number_observations": 32236,
"number_observations_unique": 5158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 27.750
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.250
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.800,5.550],
"number_observations": 30426,
"number_observations_unique": 4381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 28.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.945
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [9.620,6.800],
"number_observations": 22113,
"number_observations_unique": 3461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 33.970
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.389
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [63.020,9.620],
"number_observations": 12375,
"number_observations_unique": 1992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 39.870
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.212
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}