Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f7561bf7e8e678ba2cbc9d51e5701c96",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.986,
"b": 56.906,
"c": 115.130,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.900,1.340],
"number_observations": 468273,
"number_observations_unique": 77504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.340],
"number_observations": 27198,
"number_observations_unique": 5656,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.257
},
{
"type": "R(meas)",
"value": 1.414
},
{
"type": "R(pim)",
"value": 0.633
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.510
}
]
},
{
"resolution_limits": [56.900,5.990],
"number_observations": 5994,
"number_observations_unique": 1006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 53.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}