Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9b928f50fdd5ad465fffc8c3065a2945",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.174,
"b": 76.816,
"c": 117.626,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97911],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [117.630,2.670],
"number_observations": 249834,
"number_observations_unique": 19519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.670],
"number_observations": 28449,
"number_observations_unique": 2433,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.259
},
{
"type": "R(meas)",
"value": 2.361
},
{
"type": "R(pim)",
"value": 0.669
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.481
}
]
},
{
"resolution_limits": [117.630,8.850],
"number_observations": 6799,
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}