Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "be48ac1c4c65e8692c959b0073ae10fa",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 86.44,
"b": 76.64,
"c": 118.26,
"alpha": 90.00,
"beta": 106.33,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.270,2.600],
"number_observations": 142433,
"number_observations_unique": 45937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.600],
"number_observations": 13995,
"number_observations_unique": 4502,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.641
},
{
"type": "R(meas)",
"value": 2.009
},
{
"type": "R(pim)",
"value": 1.144
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.258
}
]
},
{
"resolution_limits": [78.270,10.070],
"number_observations": 2659,
"number_observations_unique": 854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}