Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f641c1f4b8b1bb8afb9ee416d6cddab9",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 128.013,
"b": 140.665,
"c": 168.138,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.350],
"number_observations": 1617767,
"number_observations_unique": 309614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations_unique": 16283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.506
},
{
"type": "R(meas)",
"value": 0.564
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
},
{
"resolution_limits": [1.400,1.370],
"number_observations_unique": 16201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.500
},
{
"type": "R(pim)",
"value": 0.218
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [1.430,1.400],
"number_observations_unique": 16270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(meas)",
"value": 0.437
},
{
"type": "R(pim)",
"value": 0.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [1.450,1.430],
"number_observations_unique": 16243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(meas)",
"value": 0.376
},
{
"type": "R(pim)",
"value": 0.163
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [1.490,1.450],
"number_observations_unique": 16246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.327
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.520,1.490],
"number_observations_unique": 16273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [1.560,1.520],
"number_observations_unique": 16269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [1.600,1.560],
"number_observations_unique": 16272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [1.650,1.600],
"number_observations_unique": 16265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [1.700,1.650],
"number_observations_unique": 16250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [1.760,1.700],
"number_observations_unique": 16325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.830,1.760],
"number_observations_unique": 16261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.920,1.830],
"number_observations_unique": 16241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.020,1.920],
"number_observations_unique": 16046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.140,2.020],
"number_observations_unique": 15951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.310,2.140],
"number_observations_unique": 15596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.540,2.310],
"number_observations_unique": 15269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.910,2.540],
"number_observations_unique": 14435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.660,2.910],
"number_observations_unique": 12251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 74.100
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [50.000,3.660],
"number_observations_unique": 8667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 51.100
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}