Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3e5a3e6685634ff39a0d65677aee896",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 92.980,
"b": 92.980,
"c": 364.372,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [93.100,0.991],
"number_observations": 613573,
"number_observations_unique": 94556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.100],
"number_observations": 89745,
"number_observations_unique": 13601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.831
},
{
"type": "R(pim)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.350,2.210],
"number_observations": 84387,
"number_observations_unique": 12832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.510,2.350],
"number_observations": 82022,
"number_observations_unique": 12140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "R(pim)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.710,2.510],
"number_observations": 74414,
"number_observations_unique": 11281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.970,2.710],
"number_observations": 68430,
"number_observations_unique": 10488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [3.320,2.970],
"number_observations": 61395,
"number_observations_unique": 9503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [3.830,3.320],
"number_observations": 53927,
"number_observations_unique": 8428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [4.700,3.830],
"number_observations": 44466,
"number_observations_unique": 7207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [6.640,4.700],
"number_observations": 35654,
"number_observations_unique": 5721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [48.816,6.640],
"number_observations": 19133,
"number_observations_unique": 3355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.700
}
]
}
]
}