Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a8ae2ad24b4f7d70966016ecfcb9a464",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 9.518,
"b": 20.282,
"c": 44.249,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,1.400],
"number_observations": 11623,
"number_observations_unique": 1738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.400],
"number_observations_unique": 132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.550
},
{
"type": "Completeness",
"value": 75.000
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [1.510,1.450],
"number_observations_unique": 141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.478
},
{
"type": "Completeness",
"value": 77.000
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [1.580,1.510],
"number_observations_unique": 168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "Completeness",
"value": 84.400
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [1.660,1.580],
"number_observations_unique": 165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [1.760,1.660],
"number_observations_unique": 170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.376
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [1.900,1.760],
"number_observations_unique": 182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.090,1.900],
"number_observations_unique": 173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [2.390,2.090],
"number_observations_unique": 187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
{
"resolution_limits": [3.020,2.390],
"number_observations_unique": 193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [100.000,3.020],
"number_observations_unique": 227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
}
]
}