Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "85f4c5ae38ac405db11a0238bcc6d645",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 120.17,
"b": 120.17,
"c": 33.63,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97650],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.973,1.684],
"number_observations": 238221,
"number_observations_unique": 27668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.680],
"number_observations": 32598,
"number_observations_unique": 3938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [1.880,1.780],
"number_observations": 32332,
"number_observations_unique": 3794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [2.010,1.880],
"number_observations": 31278,
"number_observations_unique": 3571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 8.800
}
]
},
{
"resolution_limits": [2.170,2.010],
"number_observations": 30387,
"number_observations_unique": 3367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [2.380,2.170],
"number_observations": 28300,
"number_observations_unique": 3134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [2.660,2.380],
"number_observations": 25745,
"number_observations_unique": 2834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [3.070,2.660],
"number_observations": 23144,
"number_observations_unique": 2540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [3.770,3.070],
"number_observations": 18319,
"number_observations_unique": 2153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [5.330,3.770],
"number_observations": 11139,
"number_observations_unique": 1566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [42.487,5.330],
"number_observations": 4979,
"number_observations_unique": 771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 74.100
},
{
"type": "Redundancy",
"value": 6.500
}
]
}
]
}