Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d5525f8a8df11b84af1962bb6f7485d7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.897,
"b": 33.100,
"c": 62.624,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [17.660,0.920],
"number_observations": 1048999,
"number_observations_unique": 46882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 33.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 22.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [0.970,0.920],
"number_observations": 59469,
"number_observations_unique": 6128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "R(meas)",
"value": 0.553
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [17.660,2.920],
"number_observations": 37216,
"number_observations_unique": 1677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 108.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 22.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}