Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f7d77c07423a3424a8959b762e959a25",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 103.748,
"b": 216.072,
"c": 224.503,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.8220,2.750],
"number_observations_unique": 129800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.750],
"number_observations": 37365,
"number_observations_unique": 6317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.840
},
{
"type": "R(meas)",
"value": 0.924
},
{
"type": "R(pim)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [29.820,15.060],
"number_observations": 4371,
"number_observations_unique": 761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}