Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d368ec8faf4bfc0eaa62a278ff31edd",
"space_group_name": "P 1",
"unit_cell": {
"a": 64.254,
"b": 66.228,
"c": 75.256,
"alpha": 90.27,
"beta": 91.43,
"gamma": 105.20
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.990,1.710],
"number_observations": 623308,
"number_observations_unique": 125104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations": 33385,
"number_observations_unique": 6159,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.220
},
{
"type": "R(meas)",
"value": 1.350
},
{
"type": "R(pim)",
"value": 0.573
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
},
{
"resolution_limits": [48.990,9.370],
"number_observations": 4094,
"number_observations_unique": 778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 32.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}