Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab2b34db4058ffcb1c661c07662a9911",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 78.791,
"b": 46.498,
"c": 64.254,
"alpha": 90.00,
"beta": 94.94,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.824,1.550],
"number_observations": 102047,
"number_observations_unique": 33064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.555,1.550],
"number_observations": 664,
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [34.824,7.174],
"number_observations": 894,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}