Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c79102be8959fd0565a159d7ab4468a8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.472,
"b": 80.374,
"c": 115.645,
"alpha": 90.00,
"beta": 96.74,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.0,2.700],
"number_observations_unique": 23370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
"refln_shells": [
{
"resolution_limits": [2.760,2.700],
"number_observations_unique": 1325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "Completeness",
"value": 82.3
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
{
"resolution_limits": [2.830,2.760],
"number_observations_unique": 1443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "Completeness",
"value": 91.7
},
{
"type": "Redundancy",
"value": 2.7
}
]
},
{
"resolution_limits": [2.910,2.830],
"number_observations_unique": 1505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [2.990,2.910],
"number_observations_unique": 1608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [3.090,2.990],
"number_observations_unique": 1540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [3.200,3.090],
"number_observations_unique": 1595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [3.330,3.200],
"number_observations_unique": 1587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [3.480,3.330],
"number_observations_unique": 1571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [3.660,3.480],
"number_observations_unique": 1590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [3.890,3.660],
"number_observations_unique": 1597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [4.190,3.890],
"number_observations_unique": 1568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [4.620,4.190],
"number_observations_unique": 1597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [5.280,4.620],
"number_observations_unique": 1606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [6.650,5.280],
"number_observations_unique": 1609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [40.000,6.650],
"number_observations_unique": 1629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.6
}
]
}
]
}