Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6eab5efe122eece839cc17de7fcc6c7f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.521,
"b": 56.704,
"c": 101.661,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.090,1.750],
"number_observations": 212824,
"number_observations_unique": 31901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "R(meas)",
"value": 0.746
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.827
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.750],
"number_observations": 14065,
"number_observations_unique": 2113,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.239
},
{
"type": "R(meas)",
"value": 1.343
},
{
"type": "R(pim)",
"value": 0.509
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.467
}
]
},
{
"resolution_limits": [29.090,7.840],
"number_observations": 2465,
"number_observations_unique": 422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.693
},
{
"type": "R(meas)",
"value": 0.757
},
{
"type": "R(pim)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
}
]
}