Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d58a5bf3f1d11f4c17c0c630a99e6266",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.491,
"b": 51.395,
"c": 78.779,
"alpha": 90.00,
"beta": 92.62,
"gamma": 90.00
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.440,1.540],
"number_observations": 364962,
"number_observations_unique": 52262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.540],
"number_observations": 16977,
"number_observations_unique": 2472,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.280
},
{
"type": "R(meas)",
"value": 1.384
},
{
"type": "R(pim)",
"value": 0.520
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [44.440,8.440],
"number_observations": 2358,
"number_observations_unique": 346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(meas)",
"value": 0.014
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 62.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}