Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6fe8b5e9d4edbb809b198eeb9b18dbbd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.011,
"b": 137.920,
"c": 73.930,
"alpha": 90.00,
"beta": 102.98,
"gamma": 90.00
},
"wavelengths": [1.54170],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.57,2.450],
"number_observations_unique": 49961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.530,2.450],
"number_observations": 19817,
"number_observations_unique": 4422,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.049
},
{
"type": "R(meas)",
"value": 1.179
},
{
"type": "R(pim)",
"value": 0.526
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.557
}
]
},
{
"resolution_limits": [29.570,9.800],
"number_observations": 3940,
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}