Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "125abff2ad858014b920a53657c3a608",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 107.243,
"b": 107.243,
"c": 305.135,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.8220],
"number_observations_unique": 43919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "R(meas)",
"value": 0.400
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.910,2.860],
"number_observations_unique": 2128,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.375
},
{
"type": "R(meas)",
"value": 6.580
},
{
"type": "R(pim)",
"value": 2.558
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.400
},
{
"type": "CC(1/2)",
"value": 0.455
}
]
},
{
"resolution_limits": [2.960,2.910],
"number_observations_unique": 2149,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.051
},
{
"type": "R(meas)",
"value": 6.247
},
{
"type": "R(pim)",
"value": 1.616
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.300
},
{
"type": "CC(1/2)",
"value": 0.514
}
]
},
{
"resolution_limits": [3.020,2.960],
"number_observations_unique": 2170,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.886
},
{
"type": "R(meas)",
"value": 4.013
},
{
"type": "R(pim)",
"value": 1.538
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.100
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
},
{
"resolution_limits": [3.080,3.020],
"number_observations_unique": 2148,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.820
},
{
"type": "R(meas)",
"value": 3.954
},
{
"type": "R(pim)",
"value": 0.996
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.800
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [3.150,3.080],
"number_observations_unique": 2136,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.022
},
{
"type": "R(meas)",
"value": 3.120
},
{
"type": "R(pim)",
"value": 1.011
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [3.220,3.150],
"number_observations_unique": 2168,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.410
},
{
"type": "R(meas)",
"value": 2.482
},
{
"type": "R(pim)",
"value": 0.769
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.900
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [3.300,3.220],
"number_observations_unique": 2164,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.827
},
{
"type": "R(meas)",
"value": 1.882
},
{
"type": "R(pim)",
"value": 0.591
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [3.390,3.300],
"number_observations_unique": 2147,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.404
},
{
"type": "R(meas)",
"value": 1.446
},
{
"type": "R(pim)",
"value": 0.448
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [3.490,3.390],
"number_observations_unique": 2176,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.081
},
{
"type": "R(meas)",
"value": 1.114
},
{
"type": "R(pim)",
"value": 0.343
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [3.600,3.490],
"number_observations_unique": 2162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.753
},
{
"type": "R(meas)",
"value": 0.775
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.400
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.730,3.600],
"number_observations_unique": 2185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "R(meas)",
"value": 0.566
},
{
"type": "R(pim)",
"value": 0.184
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.880,3.730],
"number_observations_unique": 2186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "R(pim)",
"value": 0.135
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.060,3.880],
"number_observations_unique": 2186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.270,4.060],
"number_observations_unique": 2182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.540,4.270],
"number_observations_unique": 2208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.890,4.540],
"number_observations_unique": 2195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.380,4.890],
"number_observations_unique": 2235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.160,5.380],
"number_observations_unique": 2245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [7.750,6.160],
"number_observations_unique": 2294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,7.750],
"number_observations_unique": 2455,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}