Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f889f88343a99727fde99a20a85207a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.360,
"b": 56.431,
"c": 101.823,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.090,1.530],
"number_observations": 321358,
"number_observations_unique": 48852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.530],
"number_observations": 22656,
"number_observations_unique": 3484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "R(meas)",
"value": 0.972
},
{
"type": "R(pim)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [29.090,6.840],
"number_observations": 3971,
"number_observations_unique": 635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 90.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}