Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f81ca5dfc862c6d9b6b6e6cd4903e26",
"space_group_name": "I 21 3",
"unit_cell": {
"a": 107.236,
"b": 107.236,
"c": 107.236,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97880],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.66,1.950],
"number_observations_unique": 15070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 10876,
"number_observations_unique": 1060,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.015
},
{
"type": "R(meas)",
"value": 1.068
},
{
"type": "R(pim)",
"value": 0.333
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.752
}
]
},
{
"resolution_limits": [28.660,8.940],
"number_observations": 973,
"number_observations_unique": 138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 28.600
},
{
"type": "Completeness",
"value": 80.100
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}