Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "18a3ac974333a782b19208856f096f17",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.78,
"b": 88.78,
"c": 39.46,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.700,1.000],
"number_observations": 1043194,
"number_observations_unique": 164869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 11.450
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.327
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.000],
"number_observations": 146074,
"number_observations_unique": 26108,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.531
},
{
"type": "R(meas)",
"value": 1.689
},
{
"type": "I/SigI",
"value": 0.880
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.595
},
{
"type": "CC(1/2)",
"value": 0.604
}
]
},
{
"resolution_limits": [1.140,1.060],
"number_observations": 157981,
"number_observations_unique": 25030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.723
},
{
"type": "R(meas)",
"value": 0.789
},
{
"type": "I/SigI",
"value": 2.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.312
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [1.230,1.140],
"number_observations": 154007,
"number_observations_unique": 23320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "R(meas)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 3.680
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.604
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [1.340,1.230],
"number_observations": 136901,
"number_observations_unique": 21474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 5.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.375
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.500,1.340],
"number_observations": 131772,
"number_observations_unique": 19439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 9.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.779
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.730,1.500],
"number_observations": 111694,
"number_observations_unique": 17207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 17.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.491
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.120,1.730],
"number_observations": 95293,
"number_observations_unique": 14579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 28.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.536
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.000,2.120],
"number_observations": 69542,
"number_observations_unique": 11319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 37.630
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.144
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [39.700,3.000],
"number_observations": 39930,
"number_observations_unique": 6393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 43.140
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.246
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}