Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a581ebf60d2884f5bcf47efa64e20f23",
"space_group_name": "P 1",
"unit_cell": {
"a": 42.563,
"b": 50.761,
"c": 65.858,
"alpha": 80.93,
"beta": 79.92,
"gamma": 68.75
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.060,2.270],
"number_observations": 82692,
"number_observations_unique": 21523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.350,2.270],
"number_observations": 8112,
"number_observations_unique": 2091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.542
},
{
"type": "R(meas)",
"value": 0.628
},
{
"type": "R(pim)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [47.060,8.790],
"number_observations": 1511,
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 30.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}