Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "506f6dcf04bd40cfa86d5a7e43d96fbc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.289,
"b": 58.436,
"c": 49.713,
"alpha": 90.00,
"beta": 115.87,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.220,1.460],
"number_observations": 142395,
"number_observations_unique": 41348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.460],
"number_observations": 9421,
"number_observations_unique": 2978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.677
},
{
"type": "R(meas)",
"value": 0.818
},
{
"type": "R(pim)",
"value": 0.452
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.650
}
]
},
{
"resolution_limits": [29.220,6.530],
"number_observations": 1701,
"number_observations_unique": 496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 37.700
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}