Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b0c3f5f9342f7a5f21cb702b4ce11cae",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.177,
"b": 71.177,
"c": 150.095,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.300,1.580],
"number_observations": 694224,
"number_observations_unique": 53603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 31300,
"number_observations_unique": 2562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.736
},
{
"type": "R(meas)",
"value": 0.768
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [29.300,8.660],
"number_observations": 4320,
"number_observations_unique": 405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 22.800
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
}
]
}