Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "576c502fe8d5f9b1d6deb7521e734759",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.695,
"b": 68.077,
"c": 138.627,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.330,1.700],
"number_observations": 475610,
"number_observations_unique": 71172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 21068,
"number_observations_unique": 3650,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.346
},
{
"type": "R(meas)",
"value": 3.681
},
{
"type": "R(pim)",
"value": 1.522
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.311
}
]
},
{
"resolution_limits": [69.330,9.000],
"number_observations": 3215,
"number_observations_unique": 582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 55.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.695
}
]
}
]
}