Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3637cc1c9aa021c834ef0c138cac0f6",
"space_group_name": "P 63",
"unit_cell": {
"a": 150.82,
"b": 150.82,
"c": 112.57,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.350],
"number_observations_unique": 60593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 22.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.456
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.410,2.350],
"number_observations_unique": 4454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.594
},
{
"type": "R(meas)",
"value": 0.621
},
{
"type": "I/SigI",
"value": 4.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.486
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [2.480,2.410],
"number_observations_unique": 4368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(meas)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 5.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.550,2.480],
"number_observations_unique": 4196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "R(meas)",
"value": 0.430
},
{
"type": "I/SigI",
"value": 5.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.517
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.630,2.550],
"number_observations_unique": 4112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "R(meas)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 6.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.511
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.710,2.630],
"number_observations_unique": 3997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 8.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.522
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.810,2.710],
"number_observations_unique": 3872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 11.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.524
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.910,2.810],
"number_observations_unique": 3699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.530
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.030,2.910],
"number_observations_unique": 3599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 16.530
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.537
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.170,3.030],
"number_observations_unique": 3419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 20.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.516
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.320,3.170],
"number_observations_unique": 3291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 25.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.509
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.500,3.320],
"number_observations_unique": 3150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 31.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.471
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.720,3.500],
"number_observations_unique": 2954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 35.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.447
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.970,3.720],
"number_observations_unique": 2795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 39.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.426
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.290,3.970],
"number_observations_unique": 2596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 44.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.404
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.700,4.290],
"number_observations_unique": 2398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 47.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.410
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.250,4.700],
"number_observations_unique": 2166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 49.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.402
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.070,5.250],
"number_observations_unique": 1926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 47.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.413
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.430,6.070],
"number_observations_unique": 1621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 48.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.321
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.510,7.430],
"number_observations_unique": 1273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 55.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.095
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.0,10.510],
"number_observations_unique": 707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 54.990
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 9.928
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}