Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "81e2299ee945913c1b8f9c7e218e5385",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.760,
"b": 61.573,
"c": 53.351,
"alpha": 90.00,
"beta": 106.57,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.900,1.650],
"number_observations": 111877,
"number_observations_unique": 31932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations_unique": 1579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "R(meas)",
"value": 0.461
},
{
"type": "R(pim)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.870
}
]
},
{
"resolution_limits": [42.900,9.040],
"number_observations_unique": 202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.011
},
{
"type": "R(meas)",
"value": 0.014
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 40.4
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}