Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b6fccc855112812dd49ed0ca0df9ccc9",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.59,
"b": 67.59,
"c": 166.26,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.890,1.800],
"number_observations": 196620,
"number_observations_unique": 21723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 11588,
"number_observations_unique": 1243,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.200
},
{
"type": "R(meas)",
"value": 1.269
},
{
"type": "R(pim)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [33.890,9.000],
"number_observations": 1525,
"number_observations_unique": 226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}