Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a72a90cabf94a0808fa1d24b9f7c80bb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.54,
"b": 79.27,
"c": 89.34,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.290,1.270],
"number_observations": 738434,
"number_observations_unique": 117509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.300,1.270],
"number_observations": 43666,
"number_observations_unique": 8584,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.527
},
{
"type": "R(meas)",
"value": 1.706
},
{
"type": "R(pim)",
"value": 0.752
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.466
}
]
},
{
"resolution_limits": [59.290,5.680],
"number_observations": 9179,
"number_observations_unique": 1475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 30.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}