Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c83da090a612f1fd264ebb4baf2f5924",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 69.753,
"b": 136.320,
"c": 75.883,
"alpha": 90.00,
"beta": 92.92,
"gamma": 90.00
},
"wavelengths": [0.96858],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.420,2.300],
"number_observations_unique": 62547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations": 15458,
"number_observations_unique": 4609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.880
},
{
"type": "R(meas)",
"value": 1.048
},
{
"type": "R(pim)",
"value": 0.563
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.565
}
]
},
{
"resolution_limits": [29.410,10.290],
"number_observations": 2129,
"number_observations_unique": 690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}