Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e90439e1ab451bb46f6b741a7ee84483",
"space_group_name": "P 41",
"unit_cell": {
"a": 60.166,
"b": 60.166,
"c": 124.930,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97970,0.97990,0.96000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.750],
"number_observations_unique": 45386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 43.189
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.81,1.75],
"number_observations_unique": 4520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.500
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.90
}
]
},
{
"resolution_limits": [1.89,1.81],
"number_observations_unique": 4523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 15.00
}
]
},
{
"resolution_limits": [1.97,1.89],
"number_observations_unique": 4544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 15.00
}
]
},
{
"resolution_limits": [2.07,1.97],
"number_observations_unique": 4529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 15.00
}
]
},
{
"resolution_limits": [2.20,2.07],
"number_observations_unique": 4524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 15.10
}
]
},
{
"resolution_limits": [2.38,2.20],
"number_observations_unique": 4530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 15.10
}
]
},
{
"resolution_limits": [2.61,2.38],
"number_observations_unique": 4516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 15.10
}
]
},
{
"resolution_limits": [2.99,2.61],
"number_observations_unique": 4552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 15.00
}
]
},
{
"resolution_limits": [3.77,2.99],
"number_observations_unique": 4565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.70
}
]
},
{
"resolution_limits": [50.00,3.77],
"number_observations_unique": 4583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 14.90
}
]
}
]
}