Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fe302e958457add267529c98cfb1f75e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.262,
"b": 73.134,
"c": 52.860,
"alpha": 90.00,
"beta": 109.51,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.663,1.260],
"number_observations": 320054,
"number_observations_unique": 87101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 11.780
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.674
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.260],
"number_observations": 48510,
"number_observations_unique": 13762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.481
},
{
"type": "R(meas)",
"value": 0.565
},
{
"type": "I/SigI",
"value": 2.530
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "CC(1/2)",
"value": 0.760
}
]
},
{
"resolution_limits": [1.430,1.330],
"number_observations": 48336,
"number_observations_unique": 13284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "R(meas)",
"value": 0.402
},
{
"type": "I/SigI",
"value": 3.680
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [1.540,1.430],
"number_observations": 46172,
"number_observations_unique": 12319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 5.620
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [1.690,1.540],
"number_observations": 41742,
"number_observations_unique": 11369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 8.110
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.890,1.690],
"number_observations": 38841,
"number_observations_unique": 10304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 12.530
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.180,1.890],
"number_observations": 32935,
"number_observations_unique": 9063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 19.040
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.670,2.180],
"number_observations": 29649,
"number_observations_unique": 7700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 24.410
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.760,2.670],
"number_observations": 21925,
"number_observations_unique": 5974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 29.890
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [42.663,3.760],
"number_observations": 11944,
"number_observations_unique": 3326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 33.920
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}