Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5333ef9b5765d972d661f9f98a3fc218",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.645,
"b": 96.905,
"c": 57.946,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.970,1.750],
"number_observations": 152140,
"number_observations_unique": 23474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 5994,
"number_observations_unique": 1149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.818
},
{
"type": "R(meas)",
"value": 0.905
},
{
"type": "R(pim)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [28.970,9.090],
"number_observations": 1202,
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 53.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}