Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d635861567830cb32180c02a0b10e77",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 98.007,
"b": 135.025,
"c": 162.559,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.420,2.750],
"number_observations": 318635,
"number_observations_unique": 56669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.750],
"number_observations": 26428,
"number_observations_unique": 4538,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.319
},
{
"type": "R(meas)",
"value": 3.641
},
{
"type": "R(pim)",
"value": 1.479
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.316
}
]
},
{
"resolution_limits": [47.420,11.660],
"number_observations": 4124,
"number_observations_unique": 831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 41.100
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}