Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dab32a05bf9cf56efc2cf07789f525b2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.395,
"b": 56.340,
"c": 101.989,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.110,1.890],
"number_observations": 172851,
"number_observations_unique": 24788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.890],
"number_observations": 12066,
"number_observations_unique": 1755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.891
},
{
"type": "R(meas)",
"value": 0.964
},
{
"type": "R(pim)",
"value": 0.362
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
},
{
"resolution_limits": [29.110,8.430],
"number_observations": 2084,
"number_observations_unique": 343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 56.500
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}