Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f7c45064311ae23dd81be03e0bae2ef",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 126.892,
"b": 133.659,
"c": 126.778,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.843,2.647],
"number_observations_unique": 31706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 12.4
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.647],
"number_observations_unique": 3106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 12.0
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations_unique": 3137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.3
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations_unique": 3155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations_unique": 3125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.6
}
]
},
{
"resolution_limits": [3.340,3.140],
"number_observations_unique": 3163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.6
}
]
},
{
"resolution_limits": [3.600,3.340],
"number_observations_unique": 3142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.6
}
]
},
{
"resolution_limits": [3.960,3.600],
"number_observations_unique": 3175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.6
}
]
},
{
"resolution_limits": [4.530,3.960],
"number_observations_unique": 3168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.5
}
]
},
{
"resolution_limits": [5.710,4.530],
"number_observations_unique": 3211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
}
]
},
{
"resolution_limits": [44.843,5.710],
"number_observations_unique": 3324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 11.9
}
]
}
]
}