Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "030325e929d67a5921491e6c3faf2888",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 62.12,
"b": 76.68,
"c": 118.51,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.020,2.318],
"number_observations": 58780,
"number_observations_unique": 12508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.358,2.318],
"number_observations": 3035,
"number_observations_unique": 620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.680
},
{
"type": "R(meas)",
"value": 0.760
},
{
"type": "R(pim)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [55.020,6.288],
"number_observations": 2874,
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 36.400
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}