Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1fd7f82c457e6b3916b89066f3d70e76",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.58,
"b": 79.11,
"c": 89.43,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.720,1.340],
"number_observations": 644886,
"number_observations_unique": 98746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.340],
"number_observations": 41221,
"number_observations_unique": 7121,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.585
},
{
"type": "R(meas)",
"value": 1.744
},
{
"type": "R(pim)",
"value": 0.716
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.419
}
]
},
{
"resolution_limits": [44.720,5.990],
"number_observations": 7892,
"number_observations_unique": 1271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}