Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d4e0e0561c9617aae8ed70052666da0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.902,
"b": 62.373,
"c": 88.056,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.850],
"number_observations_unique": 29322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 24.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.92,1.85],
"number_observations_unique": 2876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.877
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [1.99,1.92],
"number_observations_unique": 2877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.597
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [2.08,1.99],
"number_observations_unique": 2902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [2.19,2.08],
"number_observations_unique": 2901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [2.33,2.19],
"number_observations_unique": 2914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [2.51,2.33],
"number_observations_unique": 2916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [2.76,2.51],
"number_observations_unique": 2942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [3.16,2.76],
"number_observations_unique": 2953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [3.98,3.16],
"number_observations_unique": 2966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [30.00,3.98],
"number_observations_unique": 3075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 6.90
}
]
}
]
}