Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30cca2946c47f3e5be259eb88ed8d874",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 79.543,
"b": 48.662,
"c": 123.141,
"alpha": 90.00,
"beta": 105.45,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.01,2.250],
"number_observations_unique": 43149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.250],
"number_observations": 11406,
"number_observations_unique": 3179,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.217
},
{
"type": "R(meas)",
"value": 1.430
},
{
"type": "R(pim)",
"value": 0.741
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.400
}
]
},
{
"resolution_limits": [73.990,10.060],
"number_observations": 1843,
"number_observations_unique": 543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
}
]
}