Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "010066dd43fe83b393a54b2715a843a5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.865,
"b": 106.786,
"c": 82.689,
"alpha": 90.00,
"beta": 96.61,
"gamma": 90.00
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.860,1.428],
"number_observations_unique": 190913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.430],
"number_observations": 11890,
"number_observations_unique": 6809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.454
},
{
"type": "R(meas)",
"value": 0.632
},
{
"type": "R(pim)",
"value": 0.438
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 70.800
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
},
{
"resolution_limits": [19.860,7.820],
"number_observations": 4132,
"number_observations_unique": 1153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}