Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "37c071e0bc53f53f0be3f2ff727bd91d",
"space_group_name": "I 4",
"unit_cell": {
"a": 98.208,
"b": 98.208,
"c": 108.058,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.000],
"number_observations_unique": 34954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 16.995
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations_unique": 3439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations_unique": 3536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations_unique": 3490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations_unique": 3459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations_unique": 3504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations_unique": 3477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations_unique": 3479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations_unique": 3510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [4.31,3.42],
"number_observations_unique": 3505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.30
}
]
},
{
"resolution_limits": [30.00,4.31],
"number_observations_unique": 3555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
}
]
}