Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f007d289a2a7e05157649cdeee3edda",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 118.127,
"b": 64.726,
"c": 74.383,
"alpha": 90.00,
"beta": 125.93,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.830,2.300],
"number_observations": 83951,
"number_observations_unique": 20220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 8024,
"number_observations_unique": 1936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.705
},
{
"type": "R(meas)",
"value": 0.809
},
{
"type": "R(pim)",
"value": 0.393
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.783
}
]
},
{
"resolution_limits": [47.830,8.920],
"number_observations": 1392,
"number_observations_unique": 368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 38.800
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}