Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aca6e244a77798bd13d81eeed243c49b",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 93.779,
"b": 93.779,
"c": 366.034,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.93930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [93.779,0.993],
"number_observations": 608442,
"number_observations_unique": 83149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.200],
"number_observations": 89034,
"number_observations_unique": 12076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.687
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.460,2.320],
"number_observations": 84334,
"number_observations_unique": 11428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(pim)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.630,2.460],
"number_observations": 79529,
"number_observations_unique": 10725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.840,2.630],
"number_observations": 73899,
"number_observations_unique": 10028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.110,2.840],
"number_observations": 67795,
"number_observations_unique": 9217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.480,3.110],
"number_observations": 61157,
"number_observations_unique": 8324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [4.020,3.480],
"number_observations": 53500,
"number_observations_unique": 7360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [4.920,4.020],
"number_observations": 44725,
"number_observations_unique": 6256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [6.960,4.920],
"number_observations": 35084,
"number_observations_unique": 4905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [49.147,6.960],
"number_observations": 19385,
"number_observations_unique": 2830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 6.800
}
]
}
]
}