Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a28867fccb027a7063b77cd4ea2b5b8",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.39,
"b": 67.39,
"c": 165.76,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.790,1.700],
"number_observations": 230870,
"number_observations_unique": 25417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 20.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 12308,
"number_observations_unique": 1323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.924
},
{
"type": "R(meas)",
"value": 0.978
},
{
"type": "R(pim)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [33.790,9.000],
"number_observations": 1453,
"number_observations_unique": 225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 118.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}