Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "840e028e6620996bc05d1a22e074c4d5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.262,
"b": 85.731,
"c": 197.670,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.260,2.050],
"number_observations": 680581,
"number_observations_unique": 51530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 51529,
"number_observations_unique": 3896,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.541
},
{
"type": "R(meas)",
"value": 1.602
},
{
"type": "R(pim)",
"value": 0.435
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [47.260,8.940],
"number_observations": 8773,
"number_observations_unique": 741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 50.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}