Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b09c2c882a02b26ba2d88ac70dc82e90",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.51,
"b": 79.27,
"c": 89.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.000,1.250],
"number_observations": 754046,
"number_observations_unique": 122498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.280,1.250],
"number_observations": 42163,
"number_observations_unique": 8868,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.475
},
{
"type": "R(meas)",
"value": 1.664
},
{
"type": "R(pim)",
"value": 0.754
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.369
}
]
},
{
"resolution_limits": [43.000,5.590],
"number_observations": 9627,
"number_observations_unique": 1539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 34.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}