Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3eb4452904c80414b29e650fd86e9646",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 97.593,
"b": 98.601,
"c": 100.035,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.510,1.700],
"number_observations": 1384862,
"number_observations_unique": 106573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 27.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 70818,
"number_observations_unique": 5259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.757
},
{
"type": "R(meas)",
"value": 0.788
},
{
"type": "R(pim)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
},
{
"resolution_limits": [44.510,9.310],
"number_observations": 6768,
"number_observations_unique": 738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 61.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}