Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "21a5635ae3b63d93e3589942792acb13",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.225,
"b": 46.543,
"c": 63.411,
"alpha": 90.00,
"beta": 111.74,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.540,1.800],
"number_observations_unique": 29389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 7730,
"number_observations_unique": 1699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.602
},
{
"type": "R(meas)",
"value": 0.683
},
{
"type": "R(pim)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [46.540,9.000],
"number_observations": 1109,
"number_observations_unique": 262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}