Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "719caae65ed05f2581e0984ec24de197",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 71.333,
"b": 77.278,
"c": 97.885,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00002],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.940,1.850],
"number_observations": 223133,
"number_observations_unique": 46264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 13990,
"number_observations_unique": 2846,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.386
},
{
"type": "R(meas)",
"value": 1.549
},
{
"type": "R(pim)",
"value": 0.679
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.316
}
]
},
{
"resolution_limits": [48.940,9.060],
"number_observations": 2042,
"number_observations_unique": 431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}