Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70888818cf7ac605aa5d6543a88d2628",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.190,
"b": 70.107,
"c": 85.386,
"alpha": 102.60,
"beta": 96.01,
"gamma": 112.56
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.420,2.230],
"number_observations": 195495,
"number_observations_unique": 57542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.230],
"number_observations": 14875,
"number_observations_unique": 4365,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.446
},
{
"type": "R(meas)",
"value": 1.722
},
{
"type": "R(pim)",
"value": 0.922
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.340
}
]
},
{
"resolution_limits": [81.420,9.710],
"number_observations": 2680,
"number_observations_unique": 710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 24.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}