Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef4e22c6c58b49d47158bf3c4b7a6abf",
"space_group_name": "H 3",
"unit_cell": {
"a": 173.922,
"b": 173.922,
"c": 97.173,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97650],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.378,2.80],
"number_observations_unique": 26960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.95,2.80],
"number_observations": 22770,
"number_observations_unique": 3943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.585
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [3.13,2.95],
"number_observations": 21584,
"number_observations_unique": 3732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [3.35,3.13],
"number_observations": 20370,
"number_observations_unique": 3525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [3.61,3.35],
"number_observations": 18839,
"number_observations_unique": 3263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [3.96,3.61],
"number_observations": 17189,
"number_observations_unique": 2981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [4.43,3.96],
"number_observations": 15803,
"number_observations_unique": 2751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [5.11,4.43],
"number_observations": 13556,
"number_observations_unique": 2379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [6.26,5.11],
"number_observations": 11384,
"number_observations_unique": 2017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [8.85,6.26],
"number_observations": 8305,
"number_observations_unique": 1551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.40
}
]
},
{
"resolution_limits": [59.55,8.85],
"number_observations": 4363,
"number_observations_unique": 818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 95.40
},
{
"type": "Redundancy",
"value": 5.30
}
]
}
]
}