Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "77a5c32c09ba23c19756f1c1ca4ad28f",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 77.054,
"b": 57.971,
"c": 61.010,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.80800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.836,2.110],
"number_observations_unique": 8835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 12.410
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.74,2.60],
"number_observations": 14992,
"number_observations_unique": 1254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 12.00
}
]
},
{
"resolution_limits": [2.91,2.74],
"number_observations": 14296,
"number_observations_unique": 1205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 11.90
}
]
},
{
"resolution_limits": [3.11,2.91],
"number_observations": 13390,
"number_observations_unique": 1123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 11.90
}
]
},
{
"resolution_limits": [3.36,3.11],
"number_observations": 12485,
"number_observations_unique": 1053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 11.90
}
]
},
{
"resolution_limits": [3.68,3.36],
"number_observations": 11439,
"number_observations_unique": 972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 13.2
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 11.80
}
]
},
{
"resolution_limits": [4.11,3.68],
"number_observations": 10502,
"number_observations_unique": 895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 17.6
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 11.70
}
]
},
{
"resolution_limits": [4.75,4.11],
"number_observations": 9154,
"number_observations_unique": 789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 19.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.60
}
]
},
{
"resolution_limits": [5.81,4.75],
"number_observations": 7686,
"number_observations_unique": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 22.5
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 11.40
}
]
},
{
"resolution_limits": [8.22,5.81],
"number_observations": 6071,
"number_observations_unique": 546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 23.2
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 11.10
}
]
},
{
"resolution_limits": [47.84,8.22],
"number_observations": 3114,
"number_observations_unique": 321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 18.4
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 9.70
}
]
}
]
}