Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b56311e023ef35dd635a60d63b5f4c6",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.300,
"b": 96.582,
"c": 57.982,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.980,1.790],
"number_observations": 143990,
"number_observations_unique": 21891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.790],
"number_observations": 7229,
"number_observations_unique": 1178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.854
},
{
"type": "R(meas)",
"value": 0.929
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.837
}
]
},
{
"resolution_limits": [29.980,8.780],
"number_observations": 1355,
"number_observations_unique": 220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 54.800
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}