Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fcba6e884c4287a5dc5883b5098f3ada",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 143.94,
"b": 143.94,
"c": 119.57,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.600],
"number_observations": 439332,
"number_observations_unique": 19156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 22.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.640,2.600],
"number_observations_unique": 965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.824
},
{
"type": "R(meas)",
"value": 0.841
},
{
"type": "R(pim)",
"value": 0.169
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.600
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.690,2.640],
"number_observations_unique": 947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.765
},
{
"type": "R(meas)",
"value": 0.781
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.600
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [2.740,2.690],
"number_observations_unique": 976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.557
},
{
"type": "R(meas)",
"value": 0.569
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.600
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.800,2.740],
"number_observations_unique": 968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "R(meas)",
"value": 0.425
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.700
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.860,2.800],
"number_observations_unique": 956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "R(meas)",
"value": 0.371
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.600
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.930,2.860],
"number_observations_unique": 970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.000,2.930],
"number_observations_unique": 956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.080,3.000],
"number_observations_unique": 972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.170,3.080],
"number_observations_unique": 971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.280,3.170],
"number_observations_unique": 977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.390,3.280],
"number_observations_unique": 967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.530,3.390],
"number_observations_unique": 968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.690,3.530],
"number_observations_unique": 653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 66.500
},
{
"type": "Redundancy",
"value": 14.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.880,3.690],
"number_observations_unique": 910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.130,3.880],
"number_observations_unique": 986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.450,4.130],
"number_observations_unique": 980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 22.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.890,4.450],
"number_observations_unique": 995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.600,4.890],
"number_observations_unique": 1003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.050,5.600],
"number_observations_unique": 1008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.000,7.050],
"number_observations_unique": 1028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}