Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "83829661d77be6034ff49595a8586555",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.70,
"b": 52.23,
"c": 101.88,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.470,1.980],
"number_observations": 121320,
"number_observations_unique": 19034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 9065,
"number_observations_unique": 1350,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.572
},
{
"type": "R(meas)",
"value": 1.703
},
{
"type": "R(pim)",
"value": 0.650
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.542
}
]
},
{
"resolution_limits": [28.470,8.860],
"number_observations": 1413,
"number_observations_unique": 254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 32.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}