Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1948b8df8332b9701aab43ca87e00779",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 54.854,
"b": 146.480,
"c": 46.656,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97933],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.240,1.650],
"number_observations": 578693,
"number_observations_unique": 46199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 26107,
"number_observations_unique": 2255,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.339
},
{
"type": "R(meas)",
"value": 1.402
},
{
"type": "R(pim)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.697
}
]
},
{
"resolution_limits": [73.240,9.040],
"number_observations": 3594,
"number_observations_unique": 349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 29.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}