Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bbc0a780ed464f3dea5e3f169f79356b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 75.644,
"b": 178.706,
"c": 130.358,
"alpha": 90.00,
"beta": 91.66,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.810,2.600],
"number_observations_unique": 105074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.820
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.600],
"number_observations": 41772,
"number_observations_unique": 10437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.890
}
]
},
{
"resolution_limits": [2.800,2.690],
"number_observations": 41941,
"number_observations_unique": 10470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.870
}
]
},
{
"resolution_limits": [2.930,2.800],
"number_observations": 41911,
"number_observations_unique": 10454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.860
}
]
},
{
"resolution_limits": [3.080,2.930],
"number_observations": 42264,
"number_observations_unique": 10498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.870
}
]
},
{
"resolution_limits": [3.280,3.080],
"number_observations": 42680,
"number_observations_unique": 10572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.860
}
]
},
{
"resolution_limits": [3.530,3.280],
"number_observations": 42580,
"number_observations_unique": 10533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.840
}
]
},
{
"resolution_limits": [3.880,3.530],
"number_observations": 42950,
"number_observations_unique": 10581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.810
}
]
},
{
"resolution_limits": [4.440,3.880],
"number_observations": 43234,
"number_observations_unique": 10601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.830
}
]
},
{
"resolution_limits": [5.590,4.440],
"number_observations": 43325,
"number_observations_unique": 10581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [29.810,5.590],
"number_observations": 43373,
"number_observations_unique": 10347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.590
}
]
}
]
}