Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9200879df1bdd3f9bba51cc0cd908a31",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.77,
"b": 93.66,
"c": 93.43,
"alpha": 90.00,
"beta": 107.83,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.420,1.520],
"number_observations": 494104,
"number_observations_unique": 139051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.520],
"number_observations": 37187,
"number_observations_unique": 10241,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.183
},
{
"type": "R(meas)",
"value": 1.388
},
{
"type": "R(pim)",
"value": 0.720
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.539
}
]
},
{
"resolution_limits": [47.420,6.800],
"number_observations": 6106,
"number_observations_unique": 1671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 57.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}