Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d2291545652c9223360bb2a46a2bbd8",
"space_group_name": "P 63",
"unit_cell": {
"a": 39.26,
"b": 39.26,
"c": 83.63,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.500,1.450],
"number_observations": 138001,
"number_observations_unique": 12815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.450],
"number_observations": 6128,
"number_observations_unique": 853,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.791
},
{
"type": "R(meas)",
"value": 4.074
},
{
"type": "R(pim)",
"value": 1.439
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.372
}
]
},
{
"resolution_limits": [31.500,6.480],
"number_observations": 1546,
"number_observations_unique": 154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 30.000
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}