Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2484398ab1b216a37d5cf342a65d59d4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.10,
"b": 51.31,
"c": 79.56,
"alpha": 90.00,
"beta": 91.97,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.110,1.655],
"number_observations_unique": 37196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.660],
"number_observations": 9078,
"number_observations_unique": 1691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "R(meas)",
"value": 0.457
},
{
"type": "R(pim)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [43.110,9.060],
"number_observations": 1589,
"number_observations_unique": 261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 24.700
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}