Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5140275ab1a80f44c9d5bab4bde32c1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 75.902,
"b": 89.348,
"c": 69.383,
"alpha": 90.00,
"beta": 90.07,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.691,2.60],
"number_observations_unique": 13960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
"refln_shells": [
{
"resolution_limits": [2.74,2.60],
"number_observations": 7876,
"number_observations_unique": 2000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.39
},
{
"type": "R(pim)",
"value": 0.19
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 96.60
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [2.91,2.74],
"number_observations": 7554,
"number_observations_unique": 1915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.33
},
{
"type": "R(pim)",
"value": 0.17
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 96.80
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [3.11,2.91],
"number_observations": 7100,
"number_observations_unique": 1789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.25
},
{
"type": "R(pim)",
"value": 0.12
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [3.36,3.11],
"number_observations": 6576,
"number_observations_unique": 1665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.17
},
{
"type": "R(pim)",
"value": 0.09
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [3.68,3.36],
"number_observations": 6233,
"number_observations_unique": 1575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.14
},
{
"type": "R(pim)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 97.70
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [4.11,3.68],
"number_observations": 5573,
"number_observations_unique": 1415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.11
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [4.75,4.11],
"number_observations": 4909,
"number_observations_unique": 1243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.09
},
{
"type": "R(pim)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [5.81,4.75],
"number_observations": 4213,
"number_observations_unique": 1068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.10
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [8.22,5.81],
"number_observations": 3268,
"number_observations_unique": 834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.09
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [37.56,8.22],
"number_observations": 1699,
"number_observations_unique": 456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 18.1
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
}
]
}