Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "24cd45d94ab120910619897f977f8cdb",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.450,
"b": 71.450,
"c": 196.203,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.730,1.670],
"number_observations": 1595796,
"number_observations_unique": 60072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations": 74703,
"number_observations_unique": 3029,
"quality_factors": [
{
"type": "R(merge)",
"value": 8.772
},
{
"type": "R(meas)",
"value": 8.955
},
{
"type": "R(pim)",
"value": 1.788
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 24.700
},
{
"type": "CC(1/2)",
"value": 0.431
}
]
},
{
"resolution_limits": [35.730,8.990],
"number_observations": 9350,
"number_observations_unique": 483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 48.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 19.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}