Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a052c17c27851bb3da9bce9a049b2767",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.73,
"b": 67.73,
"c": 166.46,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96880],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.940,1.750],
"number_observations": 213447,
"number_observations_unique": 23505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 11960,
"number_observations_unique": 1290,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.921
},
{
"type": "R(meas)",
"value": 3.105
},
{
"type": "R(pim)",
"value": 1.032
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.381
}
]
},
{
"resolution_limits": [33.940,9.090],
"number_observations": 1584,
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 31.500
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}