Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0464303f82fec4cd0657d0c88fd50abf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.195,
"b": 64.903,
"c": 165.063,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.3680],
"number_observations_unique": 19975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.450,2.370],
"number_observations_unique": 1926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [2.550,2.450],
"number_observations_unique": 2030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.670,2.550],
"number_observations_unique": 2013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.810,2.670],
"number_observations_unique": 2029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.990,2.810],
"number_observations_unique": 2009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.220,2.990],
"number_observations_unique": 2043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.540,3.220],
"number_observations_unique": 2028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.050,3.540],
"number_observations_unique": 2079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.100,4.050],
"number_observations_unique": 2024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,5.100],
"number_observations_unique": 1794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 80.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}