Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f5398300df6f51053353ab27985cfbf0",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.74,
"b": 67.74,
"c": 166.62,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.960,1.950],
"number_observations": 154781,
"number_observations_unique": 17360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 10995,
"number_observations_unique": 1195,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.149
},
{
"type": "R(meas)",
"value": 2.276
},
{
"type": "R(pim)",
"value": 0.743
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.482
}
]
},
{
"resolution_limits": [33.960,8.940],
"number_observations": 1603,
"number_observations_unique": 245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 28.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}