Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f7779180e2227940c32bf10cb7cd2e5e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 57.340,
"b": 192.114,
"c": 250.749,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.09717],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.720,2.260],
"number_observations": 535220,
"number_observations_unique": 128917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.260],
"number_observations": 27521,
"number_observations_unique": 6418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "R(pim)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [38.720,12.380],
"number_observations": 3081,
"number_observations_unique": 879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}