Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f57383152b961c101c9966b08c93c98",
"space_group_name": "P 1",
"unit_cell": {
"a": 4.81,
"b": 19.34,
"c": 21.90,
"alpha": 65.82,
"beta": 83.72,
"gamma": 83.20
},
"wavelengths": [0.87290],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.930,1.700],
"number_observations": 5372,
"number_observations_unique": 776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 5.020
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.923
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.700],
"number_observations_unique": 136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.481
},
{
"type": "I/SigI",
"value": 3.180
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.522
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [1.960,1.820],
"number_observations_unique": 127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "R(meas)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 4.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.260
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [2.150,1.960],
"number_observations_unique": 131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 4.640
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.740
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.400,2.150],
"number_observations_unique": 122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "I/SigI",
"value": 5.410
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 6.426
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.780,2.400],
"number_observations_unique": 79,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.646
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.400,2.780],
"number_observations_unique": 77,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 6.060
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.156
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [4.810,3.400],
"number_observations_unique": 79,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 7.050
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.532
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [19.930,4.810],
"number_observations_unique": 25,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 6.730
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.920
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}