Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "38791ca6035813d4199249b6d323077c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.654,
"b": 81.859,
"c": 68.221,
"alpha": 90.00,
"beta": 97.13,
"gamma": 90.00
},
"wavelengths": [0.96863],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.700,1.860],
"number_observations": 347126,
"number_observations_unique": 51728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.860],
"number_observations": 25676,
"number_observations_unique": 3798,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.126
},
{
"type": "R(meas)",
"value": 3.387
},
{
"type": "R(pim)",
"value": 1.292
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.453
}
]
},
{
"resolution_limits": [67.700,8.320],
"number_observations": 3914,
"number_observations_unique": 611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}