Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c46841b817112bafa5dbe17659c558c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.589,
"b": 94.415,
"c": 99.956,
"alpha": 90.00,
"beta": 101.97,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.880,1.450],
"number_observations": 900680,
"number_observations_unique": 202119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.450],
"number_observations": 74590,
"number_observations_unique": 19562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [19.880,5.430],
"number_observations": 19155,
"number_observations_unique": 3787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}