Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cff5aee21187297ffde82ce07c5eb738",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 161.439,
"b": 80.863,
"c": 166.619,
"alpha": 90.00,
"beta": 117.22,
"gamma": 90.00
},
"wavelengths": [0.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.45,3.0],
"number_observations_unique": 38507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.42
}
]
},
"refln_shells": [
{
"resolution_limits": [3.11,3.00],
"number_observations_unique": 3846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.727
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.54
}
]
},
{
"resolution_limits": [3.23,3.11],
"number_observations_unique": 3819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.664
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.55
}
]
},
{
"resolution_limits": [3.38,3.23],
"number_observations_unique": 3802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.541
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.52
}
]
},
{
"resolution_limits": [3.56,3.38],
"number_observations_unique": 3820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.44
}
]
},
{
"resolution_limits": [3.78,3.56],
"number_observations_unique": 3840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.38
}
]
},
{
"resolution_limits": [4.07,3.78],
"number_observations_unique": 3841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.33
}
]
},
{
"resolution_limits": [4.48,4.07],
"number_observations_unique": 3861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.39
}
]
},
{
"resolution_limits": [5.13,4.48],
"number_observations_unique": 3842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 10.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.41
}
]
},
{
"resolution_limits": [6.46,5.13],
"number_observations_unique": 3895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.44
}
]
},
{
"resolution_limits": [44.45,6.46],
"number_observations_unique": 3941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 23.6
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.17
}
]
}
]
}