Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c6554994c1ece1c0a65931e679d3cfb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 115.323,
"b": 92.231,
"c": 79.061,
"alpha": 90.00,
"beta": 98.94,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.590,1.890],
"number_observations": 203494,
"number_observations_unique": 63391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.890],
"number_observations": 11786,
"number_observations_unique": 3792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "R(meas)",
"value": 0.468
},
{
"type": "R(pim)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [55.590,9.090],
"number_observations": 1815,
"number_observations_unique": 564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 28.000
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}