Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6095070887e123b076ce564ee7282165",
"space_group_name": "I 4",
"unit_cell": {
"a": 164.28,
"b": 164.28,
"c": 89.79,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.876,1.800],
"number_observations": 560618,
"number_observations_unique": 110319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.082
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 40882,
"number_observations_unique": 8079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.560
},
{
"type": "R(meas)",
"value": 0.624
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.060
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations": 40217,
"number_observations_unique": 7927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "R(meas)",
"value": 0.462
},
{
"type": "I/SigI",
"value": 3.740
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.073
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations": 39221,
"number_observations_unique": 7751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(meas)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 4.610
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.060
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 37988,
"number_observations_unique": 7472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 6.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.084
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [2.080,2.010],
"number_observations": 37042,
"number_observations_unique": 7288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 7.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.083
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [2.150,2.080],
"number_observations": 35703,
"number_observations_unique": 7004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 9.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.098
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations": 34662,
"number_observations_unique": 6790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 10.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.105
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations": 32662,
"number_observations_unique": 6500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 12.180
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.025
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.430,2.320],
"number_observations": 32112,
"number_observations_unique": 6288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 13.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.107
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.550,2.430],
"number_observations": 30618,
"number_observations_unique": 5991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 15.670
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.111
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.680,2.550],
"number_observations": 29122,
"number_observations_unique": 5696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 17.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.113
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.850,2.680],
"number_observations": 27594,
"number_observations_unique": 5394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 19.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.116
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.040,2.850],
"number_observations": 25972,
"number_observations_unique": 5080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 21.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.113
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.290,3.040],
"number_observations": 24251,
"number_observations_unique": 4746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 23.020
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.110
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.600,3.290],
"number_observations": 22155,
"number_observations_unique": 4338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 24.950
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.107
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.020,3.600],
"number_observations": 20091,
"number_observations_unique": 3959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 26.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.075
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.650,4.020],
"number_observations": 17699,
"number_observations_unique": 3484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 27.260
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.080
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.690,4.650],
"number_observations": 14934,
"number_observations_unique": 2953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 27.050
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.057
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [8.050,5.690],
"number_observations": 11531,
"number_observations_unique": 2294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 26.970
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.027
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [41.876,8.050],
"number_observations": 6162,
"number_observations_unique": 1285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.795
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}