Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "63a211a72648c70232ea9d7dd4a555bd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 81.54,
"b": 121.03,
"c": 157.98,
"alpha": 90.00,
"beta": 99.02,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.010,2.190],
"number_observations_unique": 152727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.190],
"number_observations": 52594,
"number_observations_unique": 7478,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.129
},
{
"type": "R(meas)",
"value": 1.219
},
{
"type": "R(pim)",
"value": 0.457
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.559
}
]
},
{
"resolution_limits": [52.010,12.000],
"number_observations": 6260,
"number_observations_unique": 945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 71.100
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}