Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "68a9fd3b4e0dcac5d56a6a5c510df67e",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 27.313,
"b": 43.465,
"c": 94.854,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.760,1.550],
"number_observations": 41512,
"number_observations_unique": 15097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 1278,
"number_observations_unique": 703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.311
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [19.760,8.490],
"number_observations": 353,
"number_observations_unique": 99,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 80.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}