Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "48ffe749fcdca3c7d560010d252c2a59",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.688,
"b": 62.484,
"c": 53.481,
"alpha": 90.00,
"beta": 106.32,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.660,2.030],
"number_observations_unique": 18306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.030],
"number_observations_unique": 1308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.296
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [39.660,9.080],
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}