Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0596aab7158a266cb3e8c1354d2914c2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.483,
"b": 64.364,
"c": 74.585,
"alpha": 90.00,
"beta": 125.82,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.750,2.320],
"number_observations": 79417,
"number_observations_unique": 19165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.400,2.320],
"number_observations": 6163,
"number_observations_unique": 1494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.733
},
{
"type": "R(meas)",
"value": 0.841
},
{
"type": "R(pim)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 77.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [34.750,9.000],
"number_observations": 1292,
"number_observations_unique": 352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 40.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}