Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c99d06f6cab26eec2bc810ccd48dae7",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 98.367,
"b": 120.926,
"c": 47.929,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.44,2.05],
"number_observations_unique": 36483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
"refln_shells": [
{
"resolution_limits": [2.16,2.05],
"number_observations_unique": 5226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 5.4
}
]
},
{
"resolution_limits": [2.29,2.16],
"number_observations_unique": 4976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [2.45,2.29],
"number_observations_unique": 4659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [2.65,2.45],
"number_observations_unique": 4404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [2.90,2.65],
"number_observations_unique": 4032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [3.24,2.90],
"number_observations_unique": 3692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [3.74,3.24],
"number_observations_unique": 3275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [4.58,3.74],
"number_observations_unique": 2804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 14.8
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.4
}
]
},
{
"resolution_limits": [6.48,4.58],
"number_observations_unique": 2184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 16.6
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 5.4
}
]
},
{
"resolution_limits": [29.44,6.48],
"number_observations_unique": 1231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 21.0
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 5.1
}
]
}
]
}