Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b235bb473245e9e3ecf4e205121417cf",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 100.598,
"b": 32.708,
"c": 73.413,
"alpha": 90.0,
"beta": 90.6,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.000],
"number_observations_unique": 15129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations_unique": 1093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.778
},
{
"type": "Completeness",
"value": 65.90
},
{
"type": "Redundancy",
"value": 1.70
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations_unique": 1262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.674
},
{
"type": "Completeness",
"value": 76.50
},
{
"type": "Redundancy",
"value": 1.90
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations_unique": 1365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.570
},
{
"type": "Completeness",
"value": 85.90
},
{
"type": "Redundancy",
"value": 2.10
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations_unique": 1510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "Completeness",
"value": 91.20
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations_unique": 1609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "Completeness",
"value": 96.50
},
{
"type": "Redundancy",
"value": 2.80
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations_unique": 1600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 3.00
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations_unique": 1645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations_unique": 1627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [4.30,3.42],
"number_observations_unique": 1690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [20.00,4.30],
"number_observations_unique": 1728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.00
}
]
}
]
}