Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f0eceef1df994543b67a3e912f16977b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 118.110,
"b": 63.360,
"c": 74.694,
"alpha": 90.00,
"beta": 125.62,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.280,1.990],
"number_observations": 128817,
"number_observations_unique": 31068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 8649,
"number_observations_unique": 2182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.891
},
{
"type": "R(meas)",
"value": 1.030
},
{
"type": "R(pim)",
"value": 0.510
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.622
}
]
},
{
"resolution_limits": [37.280,9.100],
"number_observations": 1232,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 44.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}