Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab51665456f0dd350df1dafcde6e2e06",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.596,
"b": 71.596,
"c": 150.815,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.470,1.300],
"number_observations": 1109819,
"number_observations_unique": 96431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 21402,
"number_observations_unique": 4262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.775
},
{
"type": "R(meas)",
"value": 0.861
},
{
"type": "R(pim)",
"value": 0.362
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [29.470,7.120],
"number_observations": 8562,
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 66.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}