Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "01c2203cd6bf6742f04c09827e79c7b3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 107.338,
"b": 69.540,
"c": 50.733,
"alpha": 90.00,
"beta": 98.81,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.080,1.500],
"number_observations_unique": 114022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 13979,
"number_observations_unique": 2765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2062
},
{
"type": "R(meas)",
"value": 2.296
},
{
"type": "R(pim)",
"value": 0.990
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.369
}
]
},
{
"resolution_limits": [29.080,8.220],
"number_observations": 2549,
"number_observations_unique": 375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 22.900
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}