Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e8562da6de5d1ce2cdbe3012b02b505a",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.958,
"b": 71.958,
"c": 151.211,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.610,1.290],
"number_observations": 1192307,
"number_observations_unique": 99899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.290],
"number_observations": 25177,
"number_observations_unique": 4621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.836
},
{
"type": "R(meas)",
"value": 0.924
},
{
"type": "R(pim)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.700
}
]
},
{
"resolution_limits": [29.610,7.070],
"number_observations": 8883,
"number_observations_unique": 738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 56.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}