Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df5990c17616ddf99f390260910e07a0",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 59.317,
"b": 86.223,
"c": 45.951,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.55],
"number_observations_unique": 34602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 25.9
},
{
"type": "Completeness",
"value": 99
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
"refln_shells": [
{
"resolution_limits": [1.58,1.55],
"number_observations_unique": 1588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 92.4
},
{
"type": "Redundancy",
"value": 4.2
}
]
},
{
"resolution_limits": [1.61,1.58],
"number_observations_unique": 1612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.459
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 93.2
},
{
"type": "Redundancy",
"value": 4.7
}
]
},
{
"resolution_limits": [1.64,1.61],
"number_observations_unique": 1680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 5.3
}
]
},
{
"resolution_limits": [1.67,1.64],
"number_observations_unique": 1668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 5.8
}
]
},
{
"resolution_limits": [1.71,1.67],
"number_observations_unique": 1746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.2
}
]
},
{
"resolution_limits": [1.75,1.71],
"number_observations_unique": 1728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.6
}
]
}
]
}