Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "370e0fcc1b1159c9798c06128a5828b2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.51,
"b": 56.30,
"c": 102.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.0300,1.820],
"number_observations": 193850,
"number_observations_unique": 29414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.820],
"number_observations": 14677,
"number_observations_unique": 2130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.692
},
{
"type": "R(meas)",
"value": 0.749
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [55.510,8.140],
"number_observations": 2388,
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 49.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}