Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9c521b34d31454d8d91cd0644213ac25",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.52,
"b": 79.32,
"c": 89.30,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.300,1.450],
"number_observations": 498248,
"number_observations_unique": 79356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.450],
"number_observations": 30254,
"number_observations_unique": 5795,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.470
},
{
"type": "R(meas)",
"value": 1.638
},
{
"type": "R(pim)",
"value": 0.715
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.452
}
]
},
{
"resolution_limits": [59.300,6.480],
"number_observations": 5882,
"number_observations_unique": 1014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}