Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c3973b83ff460fa4e2818a0a9090d445",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 48.202,
"b": 258.720,
"c": 157.548,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97890],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.600],
"number_observations": 113718,
"number_observations_unique": 30194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.600],
"number_observations_unique": 3036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.487
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.800,2.690],
"number_observations_unique": 2996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.930,2.800],
"number_observations_unique": 3017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.080,2.930],
"number_observations_unique": 3012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.280,3.080],
"number_observations_unique": 3010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.530,3.280],
"number_observations_unique": 3020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.880,3.530],
"number_observations_unique": 3024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.440,3.880],
"number_observations_unique": 3017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [5.600,4.440],
"number_observations_unique": 2980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [40.000,5.600],
"number_observations_unique": 3082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}