Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a7a8117e83dd2757accb1b0d7377a879",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.887,
"b": 86.638,
"c": 126.501,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.710,1.780],
"number_observations": 315698,
"number_observations_unique": 48854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.780],
"number_observations": 20983,
"number_observations_unique": 3358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.893
},
{
"type": "R(meas)",
"value": 0.974
},
{
"type": "R(pim)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [29.710,7.970],
"number_observations": 3799,
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 44.900
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}