Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d2d8fdf477715fa248560c267ac3dfb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.465,
"b": 56.578,
"c": 101.791,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.100,1.550],
"number_observations": 310757,
"number_observations_unique": 45831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 22181,
"number_observations_unique": 3322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.836
},
{
"type": "R(meas)",
"value": 0.906
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [29.100,6.930],
"number_observations": 3840,
"number_observations_unique": 608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 87.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}