Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8e35e1ae470fc497da512b55daf6cbb1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 64.282,
"b": 75.827,
"c": 111.352,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.300],
"number_observations": 167724,
"number_observations_unique": 24863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations_unique": 2419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.505
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.480,2.380],
"number_observations_unique": 2428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.590,2.480],
"number_observations_unique": 2441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.730,2.590],
"number_observations_unique": 2444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.900,2.730],
"number_observations_unique": 2448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [3.120,2.900],
"number_observations_unique": 2475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [3.440,3.120],
"number_observations_unique": 2495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.930,3.440],
"number_observations_unique": 2512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.950,3.930],
"number_observations_unique": 2528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [50.000,4.950],
"number_observations_unique": 2673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
}
]
}
]
}