Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "fc727eb3167ed4678a5b2d8eb5dc58ea",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.980,
"b": 101.687,
"c": 146.479,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.830,1.730],
"number_observations": 463380,
"number_observations_unique": 69087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.730],
"number_observations": 25888,
"number_observations_unique": 3791,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.290
},
{
"type": "R(meas)",
"value": 2.479
},
{
"type": "R(pim)",
"value": 0.937
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.335
}
]
},
{
"resolution_limits": [48.830,8.990],
"number_observations": 3368,
"number_observations_unique": 590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 69.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}