Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "801f826b14ab45e9b2fbf487f9d61809",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 35.727,
"b": 55.149,
"c": 145.085,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.360,1.790],
"number_observations": 352691,
"number_observations_unique": 27893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 22.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.790],
"number_observations": 17511,
"number_observations_unique": 1435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "R(meas)",
"value": 0.661
},
{
"type": "R(pim)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [48.360,9.120],
"number_observations": 2810,
"number_observations_unique": 262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 50.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}