Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4caf23fc4bf8f5f6431ea3c105c8109d",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 85.737,
"b": 85.737,
"c": 178.602,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.685,3.54],
"number_observations_unique": 7975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 92.0
},
{
"type": "Redundancy",
"value": 8.1
}
]
},
"refln_shells": [
{
"resolution_limits": [3.700,3.570],
"number_observations_unique": 634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.729
},
{
"type": "Completeness",
"value": 76.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.850,3.700],
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.588
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [4.020,3.850],
"number_observations_unique": 767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.655
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.230,4.020],
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
{
"resolution_limits": [4.500,4.230],
"number_observations_unique": 828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
{
"resolution_limits": [4.840,4.500],
"number_observations_unique": 808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [5.330,4.840],
"number_observations_unique": 832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 9.400
}
]
},
{
"resolution_limits": [6.100,5.330],
"number_observations_unique": 840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 9.400
}
]
},
{
"resolution_limits": [7.680,6.100],
"number_observations_unique": 846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [41.685,7.680],
"number_observations_unique": 883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 7.900
}
]
}
]
}