Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72b0a5365df0c85e1d2893198878ac1e",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.54,
"b": 67.54,
"c": 165.55,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.780,1.850],
"number_observations": 180558,
"number_observations_unique": 19976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 11236,
"number_observations_unique": 1214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.718
},
{
"type": "R(meas)",
"value": 0.757
},
{
"type": "R(pim)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [33.780,9.060],
"number_observations": 1519,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 43.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}