Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf6d287b23f1b36c43fb9608a6aa75f7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.23,
"b": 42.40,
"c": 72.01,
"alpha": 90.00,
"beta": 104.25,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.240,1.180],
"number_observations": 391230,
"number_observations_unique": 50399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.180],
"number_observations": 5219,
"number_observations_unique": 2009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.738
},
{
"type": "R(meas)",
"value": 0.924
},
{
"type": "R(pim)",
"value": 0.544
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 50.100
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.577
}
]
},
{
"resolution_limits": [36.240,6.370],
"number_observations": 3394,
"number_observations_unique": 554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}