Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9febc37a8f6a97b36db372439af2c9bc",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 84.409,
"b": 86.866,
"c": 50.313,
"alpha": 90.00,
"beta": 119.82,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.1950],
"number_observations_unique": 14753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.200],
"number_observations_unique": 1572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.370,2.280],
"number_observations_unique": 1581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.480,2.370],
"number_observations_unique": 1588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.610,2.480],
"number_observations_unique": 1576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.770,2.610],
"number_observations_unique": 1600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.990,2.770],
"number_observations_unique": 1518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.290,2.990],
"number_observations_unique": 1498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.760,3.290],
"number_observations_unique": 1318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 81.000
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [4.730,3.760],
"number_observations_unique": 1124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 69.800
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [30.000,4.730],
"number_observations_unique": 1378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 83.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
}
]
}