Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "521dd3050a7fb49237b2ae8f6855c461",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 41.803,
"b": 41.803,
"c": 89.330,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.060,1.400],
"number_observations": 437650,
"number_observations_unique": 16170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 27.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.400],
"number_observations": 12306,
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 4.751
},
{
"type": "R(pim)",
"value": 1.182
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 15.300
},
{
"type": "CC(1/2)",
"value": 0.293
}
]
},
{
"resolution_limits": [28.060,7.430],
"number_observations": 2392,
"number_observations_unique": 126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 45.300
},
{
"type": "Completeness",
"value": 85.300
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}