Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8c6b823f54ab35c9ad147d3c5e2b952",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 60.131,
"b": 60.131,
"c": 96.886,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.060,1.290],
"number_observations_unique": 51136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.34,1.29],
"number_observations_unique": 5120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.569
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [1.39,1.34],
"number_observations_unique": 5090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [1.45,1.39],
"number_observations_unique": 5096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [1.53,1.45],
"number_observations_unique": 5146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.90
}
]
},
{
"resolution_limits": [1.63,1.53],
"number_observations_unique": 5141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.80
}
]
},
{
"resolution_limits": [1.75,1.63],
"number_observations_unique": 5112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [1.93,1.75],
"number_observations_unique": 5168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.40
}
]
},
{
"resolution_limits": [2.21,1.93],
"number_observations_unique": 5186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.90
}
]
},
{
"resolution_limits": [2.78,2.21],
"number_observations_unique": 4868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 92.90
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [50.00,2.78],
"number_observations_unique": 5209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 95.40
},
{
"type": "Redundancy",
"value": 6.40
}
]
}
]
}