Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b62aabd949583bc9a8556ff42fc2abe7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 76.767,
"b": 46.345,
"c": 63.932,
"alpha": 90.00,
"beta": 94.73,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.639,1.600],
"number_observations": 93619,
"number_observations_unique": 29254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.605,1.600],
"number_observations": 798,
"number_observations_unique": 281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "R(meas)",
"value": 0.455
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [39.639,7.411],
"number_observations": 953,
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 35.400
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}