Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df76d3217e75c6d176be604f5282d13c",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.046,
"b": 96.749,
"c": 57.931,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.970,1.580],
"number_observations": 139495,
"number_observations_unique": 27767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 911,
"number_observations_unique": 588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.455
},
{
"type": "R(meas)",
"value": 0.570
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 37.600
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.464
}
]
},
{
"resolution_limits": [28.970,8.650],
"number_observations": 1396,
"number_observations_unique": 230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 43.600
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}