Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "12f0a042f8e2945b9687de19f315b579",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.81,
"b": 58.01,
"c": 114.50,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.880,1.530],
"number_observations": 346518,
"number_observations_unique": 52830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.530],
"number_observations": 26114,
"number_observations_unique": 3856,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.410
},
{
"type": "R(meas)",
"value": 1.526
},
{
"type": "R(pim)",
"value": 0.579
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
},
{
"resolution_limits": [31.880,6.840],
"number_observations": 4118,
"number_observations_unique": 692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}