Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4d707d1bc8a78e1415fe15b55f8aa917",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 65.802,
"b": 65.802,
"c": 112.439,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.800,2.100],
"number_observations": 215183,
"number_observations_unique": 15104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 18101,
"number_observations_unique": 1198,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.014
},
{
"type": "R(meas)",
"value": 1.049
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.100
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [65.800,8.910],
"number_observations": 2972,
"number_observations_unique": 263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 42.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}