Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c631bdab74ee7c5940684449185193d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.721,
"b": 99.207,
"c": 105.294,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.206,1.150],
"number_observations": 564788,
"number_observations_unique": 120407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.510],
"number_observations": 60558,
"number_observations_unique": 15251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.601
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 85.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.690,1.590],
"number_observations": 81582,
"number_observations_unique": 16826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "R(pim)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [1.800,1.690],
"number_observations": 72936,
"number_observations_unique": 15764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "R(pim)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [1.950,1.800],
"number_observations": 72893,
"number_observations_unique": 14833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.130,1.950],
"number_observations": 63498,
"number_observations_unique": 13596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.380,2.130],
"number_observations": 60901,
"number_observations_unique": 12393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.750,2.380],
"number_observations": 51962,
"number_observations_unique": 10972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.370,2.750],
"number_observations": 46587,
"number_observations_unique": 9317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [4.770,3.370],
"number_observations": 34453,
"number_observations_unique": 7300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [38.469,4.770],
"number_observations": 19418,
"number_observations_unique": 4155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.700
}
]
}
]
}