Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a6d0d3a6a262e4589b1c73ffd0362679",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.937,
"b": 115.370,
"c": 119.395,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.940,2.010],
"number_observations": 486841,
"number_observations_unique": 38430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 18803,
"number_observations_unique": 2276,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.307
},
{
"type": "R(meas)",
"value": 1.395
},
{
"type": "R(pim)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 80.600
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.554
}
]
},
{
"resolution_limits": [41.940,8.990],
"number_observations": 5809,
"number_observations_unique": 530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 29.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}