Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b424581f70024d15325191390f1fef6",
"space_group_name": "P 31 1 2",
"unit_cell": {
"a": 61.970,
"b": 61.970,
"c": 228.365,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.93930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.970,1.500],
"number_observations": 618089,
"number_observations_unique": 80715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 28816,
"number_observations_unique": 3951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "R(meas)",
"value": 0.353
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [19.970,8.220],
"number_observations": 5627,
"number_observations_unique": 447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 82.500
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}