Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1857d7061625eeee0e3768ed91830301",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 45.820,
"b": 74.754,
"c": 74.801,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97869,0.98062],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.790,1.510],
"number_observations_unique": 40990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 16.5
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.510],
"number_observations": 12216,
"number_observations_unique": 2047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.839
},
{
"type": "R(meas)",
"value": 0.919
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.842
}
]
},
{
"resolution_limits": [45.79,8.27],
"number_observations": 1805,
"number_observations_unique": 305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 41.8
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}