Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f4e2304811ef5e0bae98e570e5893329",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 69.536,
"b": 78.040,
"c": 92.859,
"alpha": 90.00,
"beta": 101.36,
"gamma": 90.00
},
"wavelengths": [0.95364],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.91,1.960],
"number_observations_unique": 69331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.960],
"number_observations": 12665,
"number_observations_unique": 3798,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.576
},
{
"type": "R(meas)",
"value": 1.861
},
{
"type": "R(pim)",
"value": 0.972
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 84.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.243
}
]
},
{
"resolution_limits": [47.860,9.380],
"number_observations": 2486,
"number_observations_unique": 671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 26.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}