Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9888b8bacb4a6f54ac42a09dae92d811",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 85.435,
"b": 126.801,
"c": 223.492,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.37760],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.000],
"number_observations_unique": 49135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
"refln_shells": [
{
"resolution_limits": [3.11,3.00],
"number_observations_unique": 4622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [3.23,3.11],
"number_observations_unique": 4693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [3.38,3.23],
"number_observations_unique": 4719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [3.56,3.38],
"number_observations_unique": 4734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [3.78,3.56],
"number_observations_unique": 4633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [4.07,3.78],
"number_observations_unique": 4705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [4.48,4.07],
"number_observations_unique": 4700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [5.13,4.48],
"number_observations_unique": 4689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [6.46,5.13],
"number_observations_unique": 4707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [50.00,6.46],
"number_observations_unique": 4658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 2.20
}
]
}
]
}