Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c78e2c89599dc63444c0f6317cee5dd3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 69.671,
"b": 86.696,
"c": 83.117,
"alpha": 90.00,
"beta": 110.14,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.030,2.460],
"number_observations": 124080,
"number_observations_unique": 33733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.460],
"number_observations": 18757,
"number_observations_unique": 4920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.860
},
{
"type": "R(meas)",
"value": 1.003
},
{
"type": "R(pim)",
"value": 0.509
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.727
}
]
},
{
"resolution_limits": [78.030,7.780],
"number_observations": 3471,
"number_observations_unique": 1099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}