Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c3276491b7ebc4360dd06c5cfcec8f5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.102,
"b": 53.917,
"c": 45.258,
"alpha": 90.00,
"beta": 101.25,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.5730,2.120],
"number_observations_unique": 14999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.120],
"number_observations": 4842,
"number_observations_unique": 975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.905
},
{
"type": "R(meas)",
"value": 1.013
},
{
"type": "R(pim)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 76.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.600
}
]
},
{
"resolution_limits": [48.570,9.000],
"number_observations": 1273,
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 60.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}