Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c3dcd4b647b0fc3722a76a0420833a4d",
"space_group_name": "P 4",
"unit_cell": {
"a": 92.892,
"b": 92.892,
"c": 79.476,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.892,3.100],
"number_observations_unique": 10963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
"refln_shells": [
{
"resolution_limits": [3.270,3.100],
"number_observations": 4840,
"number_observations_unique": 1621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.679
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [3.470,3.270],
"number_observations": 4546,
"number_observations_unique": 1538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [3.710,3.470],
"number_observations": 4286,
"number_observations_unique": 1450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [4.000,3.710],
"number_observations": 3853,
"number_observations_unique": 1313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [4.380,4.000],
"number_observations": 3674,
"number_observations_unique": 1228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [4.900,4.380],
"number_observations": 3245,
"number_observations_unique": 1098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [5.660,4.900],
"number_observations": 2726,
"number_observations_unique": 955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [6.930,5.660],
"number_observations": 2389,
"number_observations_unique": 810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [9.800,6.930],
"number_observations": 1921,
"number_observations_unique": 638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.7
},
{
"type": "Completeness",
"value": 85.800
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [21.678,9.800],
"number_observations": 934,
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.8
},
{
"type": "Completeness",
"value": 75.100
},
{
"type": "Redundancy",
"value": 3.000
}
]
}
]
}