Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "838bdf8e2e25a4ac86d1b8942194e323",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 80.282,
"b": 108.597,
"c": 111.946,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.280,1.800],
"number_observations": 608303,
"number_observations_unique": 91672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.800],
"number_observations": 90225,
"number_observations_unique": 13227,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.100
},
{
"type": "R(meas)",
"value": 2.272
},
{
"type": "R(pim)",
"value": 0.863
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.409
}
]
},
{
"resolution_limits": [80.280,5.680],
"number_observations": 19185,
"number_observations_unique": 3152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}