Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a236ae9a7a8c056fd4c42777fdeb0215",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 74.275,
"b": 36.098,
"c": 100.256,
"alpha": 90.00,
"beta": 91.15,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.260,2.150],
"number_observations": 70912,
"number_observations_unique": 24732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 161.400
},
{
"type": "Completeness",
"value": 83.000
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.150],
"number_observations": 4086,
"number_observations_unique": 2100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.588
},
{
"type": "R(pim)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 48.900
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.698
}
]
},
{
"resolution_limits": [74.260,6.780],
"number_observations": 2999,
"number_observations_unique": 995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 496.100
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}