Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "43bc1337e268cf9cff4e9b743eb5ac9d",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.62,
"b": 67.62,
"c": 166.59,
"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": 214086,
"number_observations_unique": 23470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.100
},
{
"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": 11963,
"number_observations_unique": 1284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "R(meas)",
"value": 0.435
},
{
"type": "R(pim)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [33.940,9.090],
"number_observations": 1588,
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 29.500
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}