Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f01f4669a37a96d57e7fb3e97068cb37",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.188,
"b": 26.920,
"c": 56.125,
"alpha": 90.00,
"beta": 100.53,
"gamma": 90.00
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.180,1.150],
"number_observations": 81044,
"number_observations_unique": 31660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 74.100
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.180,1.150],
"number_observations": 256,
"number_observations_unique": 253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 8.100
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [55.180,5.140],
"number_observations": 1581,
"number_observations_unique": 524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 42.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
}
]
}