Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "73bb23f2c69dbfa1d17854f7fd275ffb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.514,
"b": 84.673,
"c": 188.118,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95730],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.1820,1.350],
"number_observations_unique": 181008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations": 68650,
"number_observations_unique": 8815,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.106
},
{
"type": "R(meas)",
"value": 2.255
},
{
"type": "R(pim)",
"value": 0.795
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.552
}
]
},
{
"resolution_limits": [45.180,7.390],
"number_observations": 14639,
"number_observations_unique": 1262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 39.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}