Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8d75e62dbf8bded7ae7c5facc262d9d",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 62.119,
"b": 66.445,
"c": 120.262,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54184],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.130,1.800],
"number_observations": 170679,
"number_observations_unique": 22589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 4487,
"number_observations_unique": 981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.909
},
{
"type": "R(meas)",
"value": 1.023
},
{
"type": "R(pim)",
"value": 0.451
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 71.200
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.519
}
]
},
{
"resolution_limits": [60.130,8.990],
"number_observations": 760,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}