Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "35bffeb5a85fb639664ca3c8e82ae6ce",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.334,
"b": 64.448,
"c": 74.224,
"alpha": 90.00,
"beta": 125.81,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.570,2.640],
"number_observations": 54293,
"number_observations_unique": 13111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.770,2.640],
"number_observations": 6497,
"number_observations_unique": 1576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.686
},
{
"type": "R(meas)",
"value": 0.790
},
{
"type": "R(pim)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.740
}
]
},
{
"resolution_limits": [47.570,8.770],
"number_observations": 1431,
"number_observations_unique": 383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 34.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}