Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b5a0704df9f38b4bc8a601035ecd1661",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 96.780,
"b": 141.755,
"c": 168.236,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.290,2.900],
"number_observations": 278702,
"number_observations_unique": 51978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.990,2.900],
"number_observations": 23455,
"number_observations_unique": 4390,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.656
},
{
"type": "R(meas)",
"value": 1.835
},
{
"type": "R(pim)",
"value": 0.782
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.443
}
]
},
{
"resolution_limits": [47.290,11.960],
"number_observations": 3582,
"number_observations_unique": 814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 50.500
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}