Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fb96917add92f47f5122aeea568377cb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.977,
"b": 85.094,
"c": 97.846,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.413,2.320],
"number_observations_unique": 24030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 16.268
},
{
"type": "Completeness",
"value": 85.600
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.40,2.32],
"number_observations_unique": 752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.715
},
{
"type": "I/SigI",
"value": 0.776
},
{
"type": "Completeness",
"value": 27.40
},
{
"type": "Redundancy",
"value": 1.80
}
]
},
{
"resolution_limits": [2.50,2.40],
"number_observations_unique": 1482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.815
},
{
"type": "Completeness",
"value": 53.60
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [2.61,2.50],
"number_observations_unique": 2127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.653
},
{
"type": "Completeness",
"value": 77.10
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [2.75,2.61],
"number_observations_unique": 2662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.562
},
{
"type": "Completeness",
"value": 95.80
},
{
"type": "Redundancy",
"value": 9.00
}
]
},
{
"resolution_limits": [2.92,2.75],
"number_observations_unique": 2775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.40
}
]
},
{
"resolution_limits": [3.15,2.92],
"number_observations_unique": 2802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.80
}
]
},
{
"resolution_limits": [3.47,3.15],
"number_observations_unique": 2778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.90
}
]
},
{
"resolution_limits": [3.97,3.47],
"number_observations_unique": 2832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.50
}
]
},
{
"resolution_limits": [5.00,3.97],
"number_observations_unique": 2833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 13.20
}
]
},
{
"resolution_limits": [42.413,5.00],
"number_observations_unique": 2987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 13.50
}
]
}
]
}