Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a578bc978232479e87eda8c3abd4a49",
"space_group_name": "P 41 3 2",
"unit_cell": {
"a": 145.134,
"b": 145.134,
"c": 145.134,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.380,2.250],
"number_observations": 785631,
"number_observations_unique": 25533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 36.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 30.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.250],
"number_observations": 30014,
"number_observations_unique": 2300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [48.380,8.990],
"number_observations": 10991,
"number_observations_unique": 476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.600
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 23.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}