Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1784d68d797cabe5f8febaec30a35b10",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 79.96,
"b": 45.40,
"c": 81.62,
"alpha": 90.00,
"beta": 114.72,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.600,1.950],
"number_observations": 247539,
"number_observations_unique": 38986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 17550,
"number_observations_unique": 2716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.675
},
{
"type": "R(meas)",
"value": 0.733
},
{
"type": "R(pim)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [40.600,8.940],
"number_observations": 2798,
"number_observations_unique": 440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}