Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd83eca3ba47daab9fd5c825254d45aa",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.356,
"b": 56.435,
"c": 101.844,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.090,1.550],
"number_observations": 311469,
"number_observations_unique": 46317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 22049,
"number_observations_unique": 3353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.817
},
{
"type": "R(meas)",
"value": 0.887
},
{
"type": "R(pim)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
},
{
"resolution_limits": [29.090,6.920],
"number_observations": 3873,
"number_observations_unique": 612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 44.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}