Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3be8b8a905a24ee58b24b7ad2ee60193",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.21,
"b": 56.20,
"c": 101.93,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.970,1.640],
"number_observations": 261664,
"number_observations_unique": 39277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.640],
"number_observations": 16825,
"number_observations_unique": 2790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.736
},
{
"type": "R(meas)",
"value": 0.807
},
{
"type": "R(pim)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [50.970,7.330],
"number_observations": 3201,
"number_observations_unique": 526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 58.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}