Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f0f793ab70dc5597912215e32e4a630b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.896,
"b": 64.199,
"c": 74.585,
"alpha": 90.00,
"beta": 125.81,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.760,2.140],
"number_observations": 103020,
"number_observations_unique": 24603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.140],
"number_observations": 8147,
"number_observations_unique": 1944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.672
},
{
"type": "R(meas)",
"value": 0.769
},
{
"type": "R(pim)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [34.760,9.100],
"number_observations": 1302,
"number_observations_unique": 348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 35.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}