Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b3b86ba057d122b543a5d5d407b6367c",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.677,
"b": 88.677,
"c": 39.313,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.340,1.000],
"number_observations": 1047442,
"number_observations_unique": 162869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 18.880
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.431
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.000],
"number_observations": 145731,
"number_observations_unique": 24636,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.357
},
{
"type": "R(meas)",
"value": 1.489
},
{
"type": "I/SigI",
"value": 1.250
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 5.915
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [1.130,1.060],
"number_observations": 157542,
"number_observations_unique": 24922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.658
},
{
"type": "R(meas)",
"value": 0.718
},
{
"type": "I/SigI",
"value": 2.720
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.321
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.220,1.130],
"number_observations": 153880,
"number_observations_unique": 23258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 4.990
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.616
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [1.340,1.220],
"number_observations": 136609,
"number_observations_unique": 21360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 8.090
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.396
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.500,1.340],
"number_observations": 131786,
"number_observations_unique": 19398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 14.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.794
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.730,1.500],
"number_observations": 112316,
"number_observations_unique": 17141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 26.660
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.552
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.120,1.730],
"number_observations": 96085,
"number_observations_unique": 14497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.628
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.990,2.120],
"number_observations": 72081,
"number_observations_unique": 11291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 67.650
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.384
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.340,2.990],
"number_observations": 41412,
"number_observations_unique": 6366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 79.540
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.505
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}