Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d5473a1a513d0a2e9469ac3ea990498",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.64,
"b": 27.13,
"c": 55.91,
"alpha": 90.00,
"beta": 100.13,
"gamma": 90.00
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.040,1.330],
"number_observations": 70270,
"number_observations_unique": 25917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.330],
"number_observations": 3063,
"number_observations_unique": 1642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "R(meas)",
"value": 0.772
},
{
"type": "R(pim)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 79.500
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.626
}
]
},
{
"resolution_limits": [55.040,5.950],
"number_observations": 930,
"number_observations_unique": 339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 51.300
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}