Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "29b005e8796e0b6f21d8355d10b56879",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 67.46,
"b": 67.46,
"c": 141.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.859,1.500],
"number_observations": 671455,
"number_observations_unique": 53080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 30.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.500],
"number_observations": 93723,
"number_observations_unique": 7602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.988
},
{
"type": "R(meas)",
"value": 1.031
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
}
]
},
{
"resolution_limits": [1.680,1.580],
"number_observations": 95343,
"number_observations_unique": 7227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.650
},
{
"type": "R(meas)",
"value": 0.676
},
{
"type": "R(pim)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
}
]
},
{
"resolution_limits": [1.790,1.680],
"number_observations": 85955,
"number_observations_unique": 6801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "R(meas)",
"value": 0.420
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
{
"resolution_limits": [1.940,1.790],
"number_observations": 80500,
"number_observations_unique": 6342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.700
}
]
},
{
"resolution_limits": [2.120,1.940],
"number_observations": 76714,
"number_observations_unique": 5857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
}
]
},
{
"resolution_limits": [2.370,2.120],
"number_observations": 66232,
"number_observations_unique": 5330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [2.740,2.370],
"number_observations": 62496,
"number_observations_unique": 4748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
}
]
},
{
"resolution_limits": [3.350,2.740],
"number_observations": 49781,
"number_observations_unique": 4055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 23.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
}
]
},
{
"resolution_limits": [4.740,3.350],
"number_observations": 39540,
"number_observations_unique": 3211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 36.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
}
]
},
{
"resolution_limits": [47.020,4.740],
"number_observations": 21171,
"number_observations_unique": 1907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 34.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.100
}
]
}
]
}