Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d70bd91e27c0cca42164803fcbac9a1b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.203,
"b": 91.466,
"c": 147.055,
"alpha": 90.00,
"beta": 90.95,
"gamma": 90.00
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.490,2.140],
"number_observations": 559025,
"number_observations_unique": 85192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.140],
"number_observations": 41074,
"number_observations_unique": 6220,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.053
},
{
"type": "R(meas)",
"value": 2.232
},
{
"type": "R(pim)",
"value": 0.866
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.620
}
]
},
{
"resolution_limits": [91.490,9.570],
"number_observations": 6354,
"number_observations_unique": 1014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}