Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e88f1fedc35d71c40c37347a5ad7d5ff",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.073,
"b": 57.389,
"c": 115.328,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.830,1.500],
"number_observations": 368922,
"number_observations_unique": 56202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 26054,
"number_observations_unique": 4079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.771
},
{
"type": "R(meas)",
"value": 0.840
},
{
"type": "R(pim)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [28.830,6.710],
"number_observations": 4361,
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 61.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}