Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "042d1e598d851f9fa86c87deac3b7bb6",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 82.726,
"b": 82.726,
"c": 303.639,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.250],
"number_observations": 433207,
"number_observations_unique": 51200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.250],
"number_observations_unique": 5005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.713
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
{
"resolution_limits": [2.420,2.330],
"number_observations_unique": 5018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
{
"resolution_limits": [2.530,2.420],
"number_observations_unique": 5024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
{
"resolution_limits": [2.670,2.530],
"number_observations_unique": 5071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
{
"resolution_limits": [2.830,2.670],
"number_observations_unique": 5035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
{
"resolution_limits": [3.050,2.830],
"number_observations_unique": 5068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
{
"resolution_limits": [3.360,3.050],
"number_observations_unique": 5097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [3.850,3.360],
"number_observations_unique": 5147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [4.840,3.850],
"number_observations_unique": 5219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [30.000,4.840],
"number_observations_unique": 5516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.800
}
]
}
]
}