Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "961196dbed7f4806fa4d0ce926028f93",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.108,
"b": 56.539,
"c": 100.969,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.920,2.230],
"number_observations": 100176,
"number_observations_unique": 15394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.230],
"number_observations": 6192,
"number_observations_unique": 1088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.911
},
{
"type": "R(meas)",
"value": 1.002
},
{
"type": "R(pim)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [28.920,9.960],
"number_observations": 1178,
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 56.300
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}