Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "561ddb31012a6bcc6c4b6559eb741252",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.320,
"b": 83.675,
"c": 58.756,
"alpha": 90.00,
"beta": 108.46,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.620,1.770],
"number_observations": 326025,
"number_observations_unique": 49200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.230
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.770],
"number_observations": 13951,
"number_observations_unique": 2736,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.622
},
{
"type": "R(meas)",
"value": 2.927
},
{
"type": "R(pim)",
"value": 1.280
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.344
}
]
},
{
"resolution_limits": [83.620,9.020],
"number_observations": 2430,
"number_observations_unique": 405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 43.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}