Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c39ede9bd681e6996e85314037ab42e1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 65.92,
"b": 62.43,
"c": 72.08,
"alpha": 90.00,
"beta": 96.07,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.680,3.100],
"number_observations": 50639,
"number_observations_unique": 10702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.100],
"number_observations": 9282,
"number_observations_unique": 1926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.927
},
{
"type": "R(meas)",
"value": 1.032
},
{
"type": "R(pim)",
"value": 0.444
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [71.680,8.770],
"number_observations": 2388,
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}