Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "438a05534b8f19bb497244caa41b7ffa",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 70.926,
"b": 70.926,
"c": 195.874,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [98.040,1.780],
"number_observations": 1299863,
"number_observations_unique": 48956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.756
},
{
"type": "R(meas)",
"value": 0.770
},
{
"type": "R(pim)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.780],
"number_observations": 75213,
"number_observations_unique": 2825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 139.653
},
{
"type": "R(pim)",
"value": 26.748
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 26.600
},
{
"type": "CC(1/2)",
"value": 0.268
}
]
},
{
"resolution_limits": [98.040,8.910],
"number_observations": 9563,
"number_observations_unique": 504,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 37.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}