Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3ee57255f7e9d9c975c0ebf44682dcbf",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 107.13,
"b": 107.13,
"c": 258.45,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.777,3.100],
"number_observations_unique": 31959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 91.9
},
{
"type": "Redundancy",
"value": 6.2
}
]
},
"refln_shells": [
{
"resolution_limits": [3.270,3.100],
"number_observations": 20670,
"number_observations_unique": 4114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.693
},
{
"type": "I/SigI",
"value": 1.10
},
{
"type": "Completeness",
"value": 89.7
},
{
"type": "Redundancy",
"value": 5.0
}
]
},
{
"resolution_limits": [3.470,3.270],
"number_observations": 25651,
"number_observations_unique": 3994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "I/SigI",
"value": 1.50
},
{
"type": "Completeness",
"value": 91.0
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [3.710,3.470],
"number_observations": 23904,
"number_observations_unique": 3718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 2.50
},
{
"type": "Completeness",
"value": 90.6
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [4.000,3.710],
"number_observations": 22247,
"number_observations_unique": 3450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 4.10
},
{
"type": "Completeness",
"value": 90.4
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [4.380,4.000],
"number_observations": 20408,
"number_observations_unique": 3193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 6.30
},
{
"type": "Completeness",
"value": 89.9
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [4.900,4.380],
"number_observations": 18482,
"number_observations_unique": 2915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 8.10
},
{
"type": "Completeness",
"value": 89.8
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [5.660,4.900],
"number_observations": 16664,
"number_observations_unique": 2685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 8.40
},
{
"type": "Completeness",
"value": 93.4
},
{
"type": "Redundancy",
"value": 6.2
}
]
},
{
"resolution_limits": [6.930,5.660],
"number_observations": 14589,
"number_observations_unique": 2377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 8.30
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [9.800,6.930],
"number_observations": 12490,
"number_observations_unique": 1930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.70
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [46.389,9.800],
"number_observations": 7175,
"number_observations_unique": 1136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 20.70
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 6.3
}
]
}
]
}