Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af824f25abc0129c52e4629fa0adbb29",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.64,
"b": 67.64,
"c": 166.28,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96880],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.900,1.750],
"number_observations": 214225,
"number_observations_unique": 23653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 11877,
"number_observations_unique": 1285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.609
},
{
"type": "R(meas)",
"value": 0.644
},
{
"type": "R(pim)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [33.900,9.090],
"number_observations": 1586,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 26.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}