Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a2c05c2bbda5468f03a857d36640b2e",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.54,
"b": 67.54,
"c": 166.15,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96880],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.870,1.750],
"number_observations": 214671,
"number_observations_unique": 23558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 11894,
"number_observations_unique": 1275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "R(meas)",
"value": 0.336
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [33.870,9.090],
"number_observations": 1596,
"number_observations_unique": 235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 21.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}