Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4dbfbe8926386321e33eab2c5f2dac89",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 118.090,
"b": 52.079,
"c": 164.549,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [95.940,2.100],
"number_observations": 311493,
"number_observations_unique": 110838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 14071,
"number_observations_unique": 5409,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.431
},
{
"type": "R(meas)",
"value": 1.774
},
{
"type": "R(pim)",
"value": 1.031
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.294
}
]
},
{
"resolution_limits": [95.940,11.500],
"number_observations": 2396,
"number_observations_unique": 779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
}
]
}