Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ac64683c06de960b4e8435cf157d7b52",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.413,
"b": 56.543,
"c": 101.846,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.110,1.960],
"number_observations": 155839,
"number_observations_unique": 23780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 11267,
"number_observations_unique": 1702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.972
},
{
"type": "R(meas)",
"value": 1.053
},
{
"type": "R(pim)",
"value": 0.402
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
},
{
"resolution_limits": [29.110,8.750],
"number_observations": 1900,
"number_observations_unique": 320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 61.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}