Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed0337d53afd121bd6bff46fcee29a5f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.823,
"b": 57.467,
"c": 105.542,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.750],
"number_observations_unique": 32378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.750],
"number_observations_unique": 3170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [1.890,1.810],
"number_observations_unique": 3196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.970,1.890],
"number_observations_unique": 3171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.070,1.970],
"number_observations_unique": 3223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.200,2.070],
"number_observations_unique": 3195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.380,2.200],
"number_observations_unique": 3202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.610,2.380],
"number_observations_unique": 3235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.990,2.610],
"number_observations_unique": 3247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [3.770,2.990],
"number_observations_unique": 3281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [50.000,3.770],
"number_observations_unique": 3458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
}
]
}