Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "596be6bc38116e13e52b90a7f3be161c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 40.73,
"b": 51.50,
"c": 79.28,
"alpha": 90.0,
"beta": 92.3,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.700,1.6550],
"number_observations_unique": 31873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 81.100
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.660],
"number_observations": 6167,
"number_observations_unique": 1422,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.521
},
{
"type": "R(meas)",
"value": 1.712
},
{
"type": "R(pim)",
"value": 0.763
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 73.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.376
}
]
},
{
"resolution_limits": [40.700,9.060],
"number_observations": 1268,
"number_observations_unique": 253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 32.200
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}