Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "29ab37c55e8881fbfd57b6d41197c0eb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 27.177,
"b": 47.340,
"c": 46.691,
"alpha": 90.00,
"beta": 104.42,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.340,1.550],
"number_observations": 53169,
"number_observations_unique": 16629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 1773,
"number_observations_unique": 762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.643
},
{
"type": "R(meas)",
"value": 0.818
},
{
"type": "R(pim)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.780
}
]
},
{
"resolution_limits": [47.340,8.490],
"number_observations": 342,
"number_observations_unique": 110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}