Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c72eee2d0a5e5863d4de0e0f948f2925",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.637,
"b": 63.941,
"c": 74.510,
"alpha": 90.00,
"beta": 125.71,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.760,2.030],
"number_observations": 117551,
"number_observations_unique": 28444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.030],
"number_observations": 5897,
"number_observations_unique": 1478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.769
},
{
"type": "R(meas)",
"value": 0.886
},
{
"type": "R(pim)",
"value": 0.434
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 68.300
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
},
{
"resolution_limits": [47.760,9.070],
"number_observations": 1254,
"number_observations_unique": 339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 39.200
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}