Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4fa46b030cdc4b133bb30e8a43f27ae",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.639,
"b": 64.513,
"c": 74.491,
"alpha": 90.00,
"beta": 125.89,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.740,2.150],
"number_observations": 100553,
"number_observations_unique": 24495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 8377,
"number_observations_unique": 2070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.706
},
{
"type": "R(meas)",
"value": 0.813
},
{
"type": "R(pim)",
"value": 0.400
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
{
"resolution_limits": [34.740,8.860],
"number_observations": 1374,
"number_observations_unique": 369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 37.400
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}