Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b2f9d1b17a6fc73c0bdd101723cce52",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.431,
"b": 58.263,
"c": 90.622,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.41,1.69],
"number_observations_unique": 31969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 7.910
}
]
},
"refln_shells": [
{
"resolution_limits": [1.75,1.69],
"number_observations_unique": 3033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 93.20
},
{
"type": "Redundancy",
"value": 7.48
}
]
},
{
"resolution_limits": [1.82,1.75],
"number_observations_unique": 3080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 15.7
},
{
"type": "Completeness",
"value": 94.40
},
{
"type": "Redundancy",
"value": 7.65
}
]
},
{
"resolution_limits": [1.90,1.82],
"number_observations_unique": 3071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 19.4
},
{
"type": "Completeness",
"value": 95.40
},
{
"type": "Redundancy",
"value": 7.77
}
]
},
{
"resolution_limits": [2.00,1.90],
"number_observations_unique": 3131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 24.1
},
{
"type": "Completeness",
"value": 95.80
},
{
"type": "Redundancy",
"value": 7.89
}
]
},
{
"resolution_limits": [2.13,2.00],
"number_observations_unique": 3156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 30.2
},
{
"type": "Completeness",
"value": 96.70
},
{
"type": "Redundancy",
"value": 8.04
}
]
},
{
"resolution_limits": [2.29,2.13],
"number_observations_unique": 3198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 36.5
},
{
"type": "Completeness",
"value": 97.30
},
{
"type": "Redundancy",
"value": 8.15
}
]
},
{
"resolution_limits": [2.52,2.29],
"number_observations_unique": 3225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 41.2
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 8.17
}
]
},
{
"resolution_limits": [2.89,2.52],
"number_observations_unique": 3259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 48.9
},
{
"type": "Completeness",
"value": 98.60
},
{
"type": "Redundancy",
"value": 8.17
}
]
},
{
"resolution_limits": [3.64,2.89],
"number_observations_unique": 3341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 64.1
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 8.13
}
]
},
{
"resolution_limits": [26.41,3.64],
"number_observations_unique": 3475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 89.9
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 7.64
}
]
}
]
}