Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e11647a30138a2123b67876e10334f2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 70.05,
"b": 73.39,
"c": 150.40,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.06800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.250,2.090],
"number_observations": 342800,
"number_observations_unique": 90445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.090],
"number_observations": 25200,
"number_observations_unique": 6626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.761
},
{
"type": "R(meas)",
"value": 0.889
},
{
"type": "R(pim)",
"value": 0.455
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [51.250,9.350],
"number_observations": 3623,
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 34.000
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}