Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e817ac323d43b6272b4a85a33e124cdb",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.606,
"b": 71.606,
"c": 150.666,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.470,1.400],
"number_observations": 1000057,
"number_observations_unique": 78482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 41666,
"number_observations_unique": 3788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.795
},
{
"type": "R(meas)",
"value": 0.832
},
{
"type": "R(pim)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [29.470,7.520],
"number_observations": 7267,
"number_observations_unique": 616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 90.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}