Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ecc1b21ffe5ae9c7e4666d6a8e97b990",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 93.901,
"b": 93.901,
"c": 365.869,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [93.901,0.993],
"number_observations": 1023519,
"number_observations_unique": 84490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.200],
"number_observations": 140759,
"number_observations_unique": 12124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.818
},
{
"type": "R(pim)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [2.460,2.320],
"number_observations": 137302,
"number_observations_unique": 11475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "R(pim)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [2.630,2.460],
"number_observations": 131533,
"number_observations_unique": 10805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
{
"resolution_limits": [2.840,2.630],
"number_observations": 130938,
"number_observations_unique": 10132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
}
]
},
{
"resolution_limits": [3.110,2.840],
"number_observations": 116305,
"number_observations_unique": 9310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [3.480,3.110],
"number_observations": 103743,
"number_observations_unique": 8520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
{
"resolution_limits": [4.020,3.480],
"number_observations": 91995,
"number_observations_unique": 7537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
{
"resolution_limits": [4.920,4.020],
"number_observations": 75654,
"number_observations_unique": 6462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [6.960,4.920],
"number_observations": 61309,
"number_observations_unique": 5095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [49.172,6.960],
"number_observations": 33981,
"number_observations_unique": 3030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.200
}
]
}
]
}