Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f56d69656942d87f06ae39fd192aea50",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 34.138,
"b": 39.216,
"c": 103.715,
"alpha": 90.00,
"beta": 95.35,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.420,2.000],
"number_observations": 120749,
"number_observations_unique": 18550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 8012,
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.988
},
{
"type": "R(meas)",
"value": 3.277
},
{
"type": "R(pim)",
"value": 1.327
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.600
}
]
},
{
"resolution_limits": [34.420,8.940],
"number_observations": 1380,
"number_observations_unique": 231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}