Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "36e762c15d3dfc2c33e8f9079a6c93b1",
"space_group_name": "P 1",
"unit_cell": {
"a": 54.888,
"b": 58.182,
"c": 75.198,
"alpha": 87.46,
"beta": 77.52,
"gamma": 72.04
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.800],
"number_observations": 146677,
"number_observations_unique": 70885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations_unique": 3605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.422
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [1.860,1.830],
"number_observations_unique": 3607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.379
},
{
"type": "R(pim)",
"value": 0.255
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [1.900,1.860],
"number_observations_unique": 3601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.322
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [1.940,1.900],
"number_observations_unique": 3574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.283
},
{
"type": "R(pim)",
"value": 0.190
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [1.980,1.940],
"number_observations_unique": 3549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "R(pim)",
"value": 0.153
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [2.030,1.980],
"number_observations_unique": 3535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [2.080,2.030],
"number_observations_unique": 3490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.130,2.080],
"number_observations_unique": 3366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 85.300
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [2.200,2.130],
"number_observations_unique": 3084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 78.100
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.270,2.200],
"number_observations_unique": 3594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.350,2.270],
"number_observations_unique": 3637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.440,2.350],
"number_observations_unique": 3653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.550,2.440],
"number_observations_unique": 3672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.690,2.550],
"number_observations_unique": 3597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.860,2.690],
"number_observations_unique": 3524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.080,2.860],
"number_observations_unique": 3328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 83.800
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.390,3.080],
"number_observations_unique": 3433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 86.500
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.880,3.390],
"number_observations_unique": 3758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.880,3.880],
"number_observations_unique": 3699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,4.880],
"number_observations_unique": 3579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}