Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "522c3adc67d2374acb0f42254ac68833",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.813,
"b": 64.180,
"c": 74.538,
"alpha": 90.00,
"beta": 125.84,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.730,2.120],
"number_observations": 106554,
"number_observations_unique": 25680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.120],
"number_observations": 8164,
"number_observations_unique": 1987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.659
},
{
"type": "R(meas)",
"value": 0.758
},
{
"type": "R(pim)",
"value": 0.372
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [34.730,8.980],
"number_observations": 1308,
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 42.800
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}