Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f2a1e6f96e638af39fd4aa96488eba1b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.496,
"b": 58.059,
"c": 105.046,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.60],
"number_observations_unique": 10173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.600],
"number_observations_unique": 936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.638
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.800,2.690],
"number_observations_unique": 1005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.930,2.800],
"number_observations_unique": 1001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [3.080,2.930],
"number_observations_unique": 999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [3.280,3.080],
"number_observations_unique": 1008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [3.530,3.280],
"number_observations_unique": 1014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [3.880,3.530],
"number_observations_unique": 1019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [4.450,3.880],
"number_observations_unique": 1013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [5.600,4.450],
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [50.000,5.600],
"number_observations_unique": 1124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
}
]
}