Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed7e260a27509a0c01df4de0ff447308",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 148.43,
"b": 148.43,
"c": 202.16,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.06800,0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.070,2.700],
"number_observations": 300908,
"number_observations_unique": 61251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.770,2.700],
"number_observations": 22055,
"number_observations_unique": 4450,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.077
},
{
"type": "R(pim)",
"value": 0.522
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.625
}
]
},
{
"resolution_limits": [63.070,12.070],
"number_observations": 3424,
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 26.600
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}