Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d193d829c86af6ae7ac345ce6a46c07e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 34.384,
"b": 50.322,
"c": 71.324,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88560],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.120,1.300],
"number_observations": 397073,
"number_observations_unique": 59961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 19066,
"number_observations_unique": 2997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.628
},
{
"type": "R(meas)",
"value": 0.685
},
{
"type": "R(pim)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [41.120,7.120],
"number_observations": 2352,
"number_observations_unique": 388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 51.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}