Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7cea58bf31a11ee4a43c9b6f2e99e54",
"space_group_name": "P 1",
"unit_cell": {
"a": 29.983,
"b": 40.290,
"c": 57.760,
"alpha": 70.98,
"beta": 86.43,
"gamma": 67.83
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.240,2.100],
"number_observations": 28017,
"number_observations_unique": 13389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 1874,
"number_observations_unique": 1057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.597
},
{
"type": "R(meas)",
"value": 0.820
},
{
"type": "R(pim)",
"value": 0.559
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [27.240,8.910],
"number_observations": 346,
"number_observations_unique": 164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}