Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4edb16dc6dd9f9600b223f8ce711f63",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 104.025,
"b": 96.407,
"c": 103.996,
"alpha": 90.00,
"beta": 90.53,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.000,1.850],
"number_observations_unique": 169517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 27.4320
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.92,1.85],
"number_observations_unique": 16592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "Completeness",
"value": 96.90
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [1.99,1.92],
"number_observations_unique": 16670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "Completeness",
"value": 96.90
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [2.08,1.99],
"number_observations_unique": 16700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [2.19,2.08],
"number_observations_unique": 16826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [2.33,2.19],
"number_observations_unique": 16884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 98.30
},
{
"type": "Redundancy",
"value": 5.40
}
]
},
{
"resolution_limits": [2.51,2.33],
"number_observations_unique": 16983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [2.76,2.51],
"number_observations_unique": 17068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [3.16,2.76],
"number_observations_unique": 17117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [3.99,3.16],
"number_observations_unique": 17231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [90.00,3.99],
"number_observations_unique": 17446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 5.60
}
]
}
]
}