Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f6a65ad7d2eb58068c1c2cc941496dfc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.89,
"b": 57.16,
"c": 114.81,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.490,1.520],
"number_observations": 318835,
"number_observations_unique": 53152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.520],
"number_observations": 22419,
"number_observations_unique": 3854,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.918
},
{
"type": "R(meas)",
"value": 2.107
},
{
"type": "R(pim)",
"value": 0.859
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.481
}
]
},
{
"resolution_limits": [38.490,6.800],
"number_observations": 4248,
"number_observations_unique": 699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}