Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4807ea2a87f98a1a8d66fc7d4bfaf639",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.552,
"b": 77.219,
"c": 48.651,
"alpha": 90.00,
"beta": 91.55,
"gamma": 90.00
},
"wavelengths": [0.95000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.5800,1.350],
"number_observations_unique": 76213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.380,1.350],
"number_observations": 24093,
"number_observations_unique": 3718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.722
},
{
"type": "R(meas)",
"value": 0.785
},
{
"type": "R(pim)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [47.530,7.410],
"number_observations": 3194,
"number_observations_unique": 495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 57.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}