Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "693c2ef1af3eda32629548bd7ad89234",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.377,
"b": 82.784,
"c": 58.967,
"alpha": 90.00,
"beta": 108.47,
"gamma": 90.00
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.910,1.570],
"number_observations": 393807,
"number_observations_unique": 63634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.570],
"number_observations": 7133,
"number_observations_unique": 1633,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.584
},
{
"type": "R(meas)",
"value": 2.942
},
{
"type": "R(pim)",
"value": 1.385
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 47.100
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.367
}
]
},
{
"resolution_limits": [55.910,8.600],
"number_observations": 2766,
"number_observations_unique": 455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 49.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}