Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ab4330b6b500ce7c6ed62b15ea830a5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.70,
"b": 45.41,
"c": 83.52,
"alpha": 90.00,
"beta": 102.17,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.350,1.450],
"number_observations": 276494,
"number_observations_unique": 76190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.450],
"number_observations": 20429,
"number_observations_unique": 5654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "R(meas)",
"value": 0.652
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [27.350,6.480],
"number_observations": 3284,
"number_observations_unique": 938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 50.100
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}