Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eeffaa9220860b0b82d2c73839a4adc3",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 57.855,
"b": 57.855,
"c": 395.188,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [197.600,1.680],
"number_observations": 840912,
"number_observations_unique": 46752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations": 52597,
"number_observations_unique": 3358,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.272
},
{
"type": "R(meas)",
"value": 3.380
},
{
"type": "R(pim)",
"value": 0.841
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.700
},
{
"type": "CC(1/2)",
"value": 0.510
}
]
},
{
"resolution_limits": [197.600,7.510],
"number_observations": 10233,
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 31.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}