Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "89efd5e6ae4e4a1857d211411aec4cf0",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 65.23,
"b": 65.23,
"c": 65.87,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.44],
"number_observations_unique": 5543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 88.8
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
"refln_shells": [
{
"resolution_limits": [2.49,2.44],
"number_observations_unique": 297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.657
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 4.5
}
]
},
{
"resolution_limits": [2.54,2.49],
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.514
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [2.59,2.54],
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [2.64,2.59],
"number_observations_unique": 300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
"value": 99
},
{
"type": "Redundancy",
"value": 4.7
}
]
},
{
"resolution_limits": [2.70,2.64],
"number_observations_unique": 297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 99
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [2.76,2.70],
"number_observations_unique": 321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 99
},
{
"type": "Redundancy",
"value": 4.7
}
]
}
]
}