Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a8bed177505b82688e7df24b28cd56a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.720,
"b": 55.071,
"c": 61.796,
"alpha": 90.00,
"beta": 112.09,
"gamma": 90.00
},
"wavelengths": [1.32363],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.690,1.400],
"number_observations": 804980,
"number_observations_unique": 63165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 36548,
"number_observations_unique": 3024,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.632
},
{
"type": "R(meas)",
"value": 1.705
},
{
"type": "R(pim)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.643
}
]
},
{
"resolution_limits": [39.690,7.670],
"number_observations": 4985,
"number_observations_unique": 416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}